2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C19H16FN3O3 — CID 97315521

IUPAC2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O3/c1-11(19-22-12(2)23-26-19)21-18(25)16-6-4-3-5-15(16)17(24)13-7-9-14(20)10-8-13/h3-11H,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyWJHUYNUOPVKHPL-NSHDSACASA-N
MW353.35 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 97315521) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID97315521
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O3/c1-11(19-22-12(2)23-26-19)21-18(25)16-6-4-3-5-15(16)17(24)13-7-9-14(20)10-8-13/h3-11H,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyWJHUYNUOPVKHPL-NSHDSACASA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 46916369
2-(2-cyanophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 49179532
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 46195075
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide
CID 46195217
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 97315521) is 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1noc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is WJHUYNUOPVKHPL-NSHDSACASA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11(19-22-12(2)23-26-19)21-18(25)16-6-4-3-5-15(16)17(24)13-7-9-14(20)10-8-13/h3-11H,1-2H3,(H,21,25)/t11-/m0/s1.
What are the key properties of 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 353.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 97315521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).