3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide

C18H21ClN2O3 — CID 163091019

IUPAC3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21ClN2O3/c1-11(22)17-15(18(23)20-14-5-3-2-4-6-14)16(21-24-17)12-7-9-13(19)10-8-12/h7-11,14,22H,2-6H2,1H3,(H,20,23)
InChIKeyHHEHAWXWMOURQK-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds4

About 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide (PubChem CID 163091019) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
PubChem CID163091019
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
SMILESCC(O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21ClN2O3/c1-11(22)17-15(18(23)20-14-5-3-2-4-6-14)16(21-24-17)12-7-9-13(19)10-8-12/h7-11,14,22H,2-6H2,1H3,(H,20,23)
InChIKeyHHEHAWXWMOURQK-UHFFFAOYSA-N
XLogP4.11
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162880928
N-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162793287
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
3-(4-chlorophenyl)-5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368247
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 162847069
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
3-(4-chlorophenyl)-5-[(1R)-1-(cyclopentylmethylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368201

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide (CID 163091019) is 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide is CC(O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HHEHAWXWMOURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11(22)17-15(18(23)20-14-5-3-2-4-6-14)16(21-24-17)12-7-9-13(19)10-8-12/h7-11,14,22H,2-6H2,1H3,(H,20,23).
What are the key properties of 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 163091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).