N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide

C11H15ClN2O2 — CID 102638059

IUPACN-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1ccon1)C1CCCCC1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-7-16-13-9/h6-8,10H,2-5H2,1H3
InChIKeyGYSHPDJYYGQBIG-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide

N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 102638059) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID102638059
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1ccon1)C1CCCCC1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-7-16-13-9/h6-8,10H,2-5H2,1H3
InChIKeyGYSHPDJYYGQBIG-UHFFFAOYSA-N
XLogP2.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 76930117
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 63391687
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 102638059) is N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide is CN(C(=O)c1ccon1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GYSHPDJYYGQBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(10-5-3-2-4-8(10)12)11(15)9-6-7-16-13-9/h6-8,10H,2-5H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 102638059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).