2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide

C18H16ClN3O2 — CID 665429

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)20-17(23)12-7-3-4-8-13(12)18-21-16(22-24-18)14-9-5-6-10-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyFERFOUTWABYQAB-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.20
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide (PubChem CID 665429) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
PubChem CID665429
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)20-17(23)12-7-3-4-8-13(12)18-21-16(22-24-18)14-9-5-6-10-15(14)19/h3-11H,1-2H3,(H,20,23)
InChIKeyFERFOUTWABYQAB-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
methyl 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 19657942
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 92580919
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
CID 119244546
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide (CID 665429) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
The InChIKey is FERFOUTWABYQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11(2)20-17(23)12-7-3-4-8-13(12)18-21-16(22-24-18)14-9-5-6-10-15(14)19/h3-11H,1-2H3,(H,20,23).
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide has a molecular weight of 341.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 665429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).