2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C18H14N4O2 — CID 168521112

IUPAC2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCc1cccc(-c2noc(-c3ccc(NC(=O)CC#N)cc3)n2)c1
InChIInChI=1S/C18H14N4O2/c1-12-3-2-4-14(11-12)17-21-18(24-22-17)13-5-7-15(8-6-13)20-16(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23)
InChIKeyCYPZMEKMBJYPCM-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.56
Rot. Bonds4

About 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 168521112) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID168521112
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCc1cccc(-c2noc(-c3ccc(NC(=O)CC#N)cc3)n2)c1
InChIInChI=1S/C18H14N4O2/c1-12-3-2-4-14(11-12)17-21-18(24-22-17)13-5-7-15(8-6-13)20-16(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23)
InChIKeyCYPZMEKMBJYPCM-UHFFFAOYSA-N
XLogP3.56
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168607088
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
CID 100758466
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 168521112) is 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is Cc1cccc(-c2noc(-c3ccc(NC(=O)CC#N)cc3)n2)c1.
What is the InChIKey of 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is CYPZMEKMBJYPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12-3-2-4-14(11-12)17-21-18(24-22-17)13-5-7-15(8-6-13)20-16(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23).
What are the key properties of 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 318.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 168521112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).