3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H16ClFN2O2 — CID 3158037

IUPAC3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H16ClFN2O2/c16-10-6-3-7-11(17)14(10)12-8-13(21-19-12)15(20)18-9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H,18,20)
InChIKeyCOGBWXLRDYGTQK-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.03
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158037) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158037
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C15H16ClFN2O2/c16-10-6-3-7-11(17)14(10)12-8-13(21-19-12)15(20)18-9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H,18,20)
InChIKeyCOGBWXLRDYGTQK-UHFFFAOYSA-N
XLogP3.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2974916
1-{[3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-methylpiperazine
CID 2962184
N-butyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958467
3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958543
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681858
N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 4897826
N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3239084
3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550380
3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681859
N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681945
3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962185
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158038

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158037) is 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCC1)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is COGBWXLRDYGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-10-6-3-7-11(17)14(10)12-8-13(21-19-12)15(20)18-9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H,18,20).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-cyclopentyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).