3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide

C17H19ClN2O3 — CID 111477736

IUPAC3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c18-13-7-5-12(6-8-13)16-14(10-23-20-16)17(22)19-9-15(21)11-3-1-2-4-11/h5-8,10-11,15,21H,1-4,9H2,(H,19,22)
InChIKeyWDYMNKPUGHFARW-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.28
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide (PubChem CID 111477736) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide
PubChem CID111477736
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1conc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c18-13-7-5-12(6-8-13)16-14(10-23-20-16)17(22)19-9-15(21)11-3-1-2-4-11/h5-8,10-11,15,21H,1-4,9H2,(H,19,22)
InChIKeyWDYMNKPUGHFARW-UHFFFAOYSA-N
XLogP3.28
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2-oxazole-4-carboxamide
CID 111477183
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491249
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylpyridine-3-carboxamide
CID 111425985

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide (CID 111477736) is 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide is O=C(NCC(O)C1CCCC1)c1conc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WDYMNKPUGHFARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-13-7-5-12(6-8-13)16-14(10-23-20-16)17(22)19-9-15(21)11-3-1-2-4-11/h5-8,10-11,15,21H,1-4,9H2,(H,19,22).
What are the key properties of 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 111477736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).