Home Other Building Blocks 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, (2E)-2-butenedioate (2:1)

2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, (2E)-2-butenedioate (2:1)

CAS No.:
207572-68-7
Catalog Number:
AG002J59
Molecular Formula:
C24H36N4O6
Molecular Weight:
476.5658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$101
- +
5mg
≥98%
1 week
United States
$168
- +
10mg
≥98%
1 week
United States
$239
- +
50mg
≥98%
1 week
United States
$762
- +
Product Description
Catalog Number:
AG002J59
Chemical Name:
2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, (2E)-2-butenedioate (2:1)
CAS Number:
207572-68-7
Molecular Formula:
C24H36N4O6
Molecular Weight:
476.5658
MDL Number:
MFCD09878261
IUPAC Name:
(E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
InChI:
InChI=1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChI Key:
LZFATBMLSYHRTC-WXXKFALUSA-N
SMILES:
C1CN=C(O1)NC(C1CC1)C1CC1.C1CN=C(O1)NC(C1CC1)C1CC1.OC(=O)/C=C/C(=O)O
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
476.263g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
476.574g/mol
Monoisotopic Mass:
476.263g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties