3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H24ClFN2O2 — CID 4227262

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C19H24ClFN2O2/c1-4-6-8-13(5-2)11-22-19(24)16-12(3)25-23-18(16)17-14(20)9-7-10-15(17)21/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,22,24)
InChIKeyDFKUEUMLRCLJAE-UHFFFAOYSA-N
MW366.86 g/mol
LogP5.39
Rot. Bonds8

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

3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4227262) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4227262
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C19H24ClFN2O2/c1-4-6-8-13(5-2)11-22-19(24)16-12(3)25-23-18(16)17-14(20)9-7-10-15(17)21/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,22,24)
InChIKeyDFKUEUMLRCLJAE-UHFFFAOYSA-N
XLogP5.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119665884
7-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 70157795
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 9227682
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-pentylthiourea
CID 9187610
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 4618388

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 4227262) is 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide is CCCCC(CC)CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DFKUEUMLRCLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c1-4-6-8-13(5-2)11-22-19(24)16-12(3)25-23-18(16)17-14(20)9-7-10-15(17)21/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 366.86 g/mol, XLogP of 5.39, 8 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-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4227262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).