N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide

C20H17N3O3 — CID 53057007

IUPACN-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1
InChIInChI=1S/C20H17N3O3/c1-12(24)16-3-2-4-17(11-16)21-19(25)14-7-5-13(6-8-14)18-22-20(26-23-18)15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,21,25)
InChIKeyUUIJQXMSPBOVHI-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.07
Rot. Bonds5

About N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide

N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 53057007) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID53057007
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1
InChIInChI=1S/C20H17N3O3/c1-12(24)16-3-2-4-17(11-16)21-19(25)14-7-5-13(6-8-14)18-22-20(26-23-18)15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,21,25)
InChIKeyUUIJQXMSPBOVHI-UHFFFAOYSA-N
XLogP4.07
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695
4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
CID 53131838
4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
CID 53131857
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide (CID 53057007) is N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is UUIJQXMSPBOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12(24)16-3-2-4-17(11-16)21-19(25)14-7-5-13(6-8-14)18-22-20(26-23-18)15-9-10-15/h2-8,11,15H,9-10H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide?
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 347.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 53057007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).