4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C15H10N4O2S — CID 51096359

IUPAC4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H10N4O2S/c16-8-10-3-5-11(6-4-10)15(20)17-9-13-18-14(19-21-13)12-2-1-7-22-12/h1-7H,9H2,(H,17,20)
InChIKeyCCWABWNAPMHOEL-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.60
Rot. Bonds4

About 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 51096359) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID51096359
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H10N4O2S/c16-8-10-3-5-11(6-4-10)15(20)17-9-13-18-14(19-21-13)12-2-1-7-22-12/h1-7H,9H2,(H,17,20)
InChIKeyCCWABWNAPMHOEL-UHFFFAOYSA-N
XLogP2.60
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563793
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
3-bromo-5-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632140
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144170
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
3-methyl-4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 92801391
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632085
5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 110354844
2-chloro-4-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27262020

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 51096359) is 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is N#Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is CCWABWNAPMHOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c16-8-10-3-5-11(6-4-10)15(20)17-9-13-18-14(19-21-13)12-2-1-7-22-12/h1-7H,9H2,(H,17,20).
What are the key properties of 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 310.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 51096359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).