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

C11H8ClFN2O2 — CID 2736583

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(N)=O
InChIInChI=1S/C11H8ClFN2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16)
InChIKeyPPKCMGUTHICRLU-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.54
Rot. Bonds2

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

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2736583) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2736583
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(N)=O
InChIInChI=1S/C11H8ClFN2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16)
InChIKeyPPKCMGUTHICRLU-UHFFFAOYSA-N
XLogP2.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
CID 2780924
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 2736581
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](1,4-thiazinan-4-yl)methanone
CID 2804980

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2736583) is 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PPKCMGUTHICRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 2.54, 2 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)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2736583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).