2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C13H12N4O2 — CID 63374945

IUPAC2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H12N4O2/c1-9-16-13(19-17-9)8-15-12(18)6-10-2-4-11(7-14)5-3-10/h2-5H,6,8H2,1H3,(H,15,18)
InChIKeyWMMWGNJTFDEAFV-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.11
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 63374945) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID63374945
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H12N4O2/c1-9-16-13(19-17-9)8-15-12(18)6-10-2-4-11(7-14)5-3-10/h2-5H,6,8H2,1H3,(H,15,18)
InChIKeyWMMWGNJTFDEAFV-UHFFFAOYSA-N
XLogP1.11
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 78961198
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 114291364

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 63374945) is 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1noc(CNC(=O)Cc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is WMMWGNJTFDEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-16-13(19-17-9)8-15-12(18)6-10-2-4-11(7-14)5-3-10/h2-5H,6,8H2,1H3,(H,15,18).
What are the key properties of 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 256.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 63374945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).