3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

C18H20ClFN2O2 — CID 2813901

IUPAC3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H20ClFN2O2/c1-11-15(18(23)22(2)12-7-4-3-5-8-12)17(21-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyHUWZMTXPGPUELY-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.85
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2813901) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2813901
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H20ClFN2O2/c1-11-15(18(23)22(2)12-7-4-3-5-8-12)17(21-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyHUWZMTXPGPUELY-UHFFFAOYSA-N
XLogP4.85
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]carbonyl}glycine
CID 426788
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl][2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl]methanone
CID 2797972
[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](1,4-thiazinan-4-yl)methanone
CID 2804980
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
N4-azepan-1-yl-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2726141
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2813901) is 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)C1CCCCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HUWZMTXPGPUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-11-15(18(23)22(2)12-7-4-3-5-8-12)17(21-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 350.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2813901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).