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

C19H16N4O2 — CID 146123390

IUPAC3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC(CNC(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16N4O2/c1-13(12-21-18(24)16-9-5-6-14(10-16)11-20)19-22-17(23-25-19)15-7-3-2-4-8-15/h2-10,13H,12H2,1H3,(H,21,24)
InChIKeyNRBZHQZMGKOFIM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.14
Rot. Bonds5

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

3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 146123390) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID146123390
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC(CNC(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16N4O2/c1-13(12-21-18(24)16-9-5-6-14(10-16)11-20)19-22-17(23-25-19)15-7-3-2-4-8-15/h2-10,13H,12H2,1H3,(H,21,24)
InChIKeyNRBZHQZMGKOFIM-UHFFFAOYSA-N
XLogP3.14
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 146123390) is 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CC(CNC(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is NRBZHQZMGKOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13(12-21-18(24)16-9-5-6-14(10-16)11-20)19-22-17(23-25-19)15-7-3-2-4-8-15/h2-10,13H,12H2,1H3,(H,21,24).
What are the key properties of 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 146123390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).