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

C16H17ClN2O3 — CID 111462853

IUPAC5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3/c17-13-4-2-1-3-12(13)15-14(18-9-22-15)16(21)19-10-5-7-11(20)8-6-10/h1-4,9-11,20H,5-8H2,(H,19,21)
InChIKeyJBTWMPAOSVNFKH-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.03
Rot. Bonds3

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

5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide (PubChem CID 111462853) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
PubChem CID111462853
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3/c17-13-4-2-1-3-12(13)15-14(18-9-22-15)16(21)19-10-5-7-11(20)8-6-10/h1-4,9-11,20H,5-8H2,(H,19,21)
InChIKeyJBTWMPAOSVNFKH-UHFFFAOYSA-N
XLogP3.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122887
5-(2-chlorophenyl)-N-(oxan-4-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 99812898
5-(2-chlorophenyl)-N-[(2R,3R)-1-[(1S,2R)-2-fluorocyclopropanecarbonyl]-2-methylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 167750331
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120998124
5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 16676074
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634
N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 26370041
N-(4-hydroxycyclohexyl)-2-phenylbenzamide
CID 39903813

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide (CID 111462853) is 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide is O=C(NC1CCC(O)CC1)c1ncoc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JBTWMPAOSVNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-13-4-2-1-3-12(13)15-14(18-9-22-15)16(21)19-10-5-7-11(20)8-6-10/h1-4,9-11,20H,5-8H2,(H,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-hydroxycyclohexyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111462853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).