Home Other Building Blocks 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane

CAS No.:
1042777-85-4
Catalog Number:
AG01ABBA
Molecular Formula:
C9H16N4O
Molecular Weight:
196.2495
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Product Description
Catalog Number:
AG01ABBA
Chemical Name:
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane
CAS Number:
1042777-85-4
Molecular Formula:
C9H16N4O
Molecular Weight:
196.2495
MDL Number:
MFCD11170989
IUPAC Name:
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H16N4O/c1-8-11-9(12-14-8)7-13-5-2-3-10-4-6-13/h10H,2-7H2,1H3
InChI Key:
WBDDBSZQMBCCSI-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)CN1CCNCCC1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.132g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.254g/mol
Monoisotopic Mass:
196.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties