Home Other Building Blocks 2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

CAS No.:
878925-51-0
Catalog Number:
AG01B6UC
Molecular Formula:
C15H19N3O2S
Molecular Weight:
305.3953
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Product Description
Catalog Number:
AG01B6UC
Chemical Name:
2-{[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
CAS Number:
878925-51-0
Molecular Formula:
C15H19N3O2S
Molecular Weight:
305.3953
MDL Number:
MFCD08252401
IUPAC Name:
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
InChI:
InChI=1S/C15H19N3O2S/c1-9(12(16)19)21-14-18-17-13(20-14)10-5-7-11(8-6-10)15(2,3)4/h5-9H,1-4H3,(H2,16,19)
InChI Key:
YUJZUFKJISFNHN-UHFFFAOYSA-N
SMILES:
CC(C(=O)N)Sc1nnc(o1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.12g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.396g/mol
Monoisotopic Mass:
305.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties