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

C17H19ClN2O3 — CID 71786212

IUPAC3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C17H19ClN2O3/c1-10-15(17(22)19-11-5-4-6-12(21)9-11)16(20-23-10)13-7-2-3-8-14(13)18/h2-3,7-8,11-12,21H,4-6,9H2,1H3,(H,19,22)
InChIKeySWUCYHHBHBDVJM-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.34
Rot. Bonds3

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

3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71786212) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71786212
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C17H19ClN2O3/c1-10-15(17(22)19-11-5-4-6-12(21)9-11)16(20-23-10)13-7-2-3-8-14(13)18/h2-3,7-8,11-12,21H,4-6,9H2,1H3,(H,19,22)
InChIKeySWUCYHHBHBDVJM-UHFFFAOYSA-N
XLogP3.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
3-(2-chlorophenyl)-N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95985195
3-(2-chlorophenyl)-5-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 2120638
3-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78886764
3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51896602
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 6597474
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119590659
3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide
CID 91813669
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 71786212) is 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC(O)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SWUCYHHBHBDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-15(17(22)19-11-5-4-6-12(21)9-11)16(20-23-10)13-7-2-3-8-14(13)18/h2-3,7-8,11-12,21H,4-6,9H2,1H3,(H,19,22).
What are the key properties of 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71786212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).