4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide

C12H11ClN2O2S — CID 5307577

IUPAC4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1onc(C)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(13)11(17-15-7)12(16)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,16)
InChIKeyVBMAOANNQDDIRB-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide

4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 5307577) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID5307577
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1onc(C)c1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(13)11(17-15-7)12(16)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,16)
InChIKeyVBMAOANNQDDIRB-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
5-methyl-N-(2-(methylthio)phenyl)isoxazole-3-carboxamide
CID 1247789
4-chloro-3-methyl-N-(4-methylphenyl)-5-isoxazolecarboxamide
CID 9550985
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
CID 9550988
4-chloro-N,3-dimethyl-N-phenylisoxazole-5-carboxamide
CID 6622837
N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7668119
4-chloro-N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 17095607
4-chloro-N-(2,4-difluorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868355
4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 5307140
4-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-3-methyl-1,2-oxazole-5-carboxamide
CID 5309964
4-chloro-N-(4-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868351
N-(3-Chlorophenyl)-3-methyl-5-isoxazolecarboxamide
CID 6622777

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide (CID 5307577) is 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide is CSc1ccccc1NC(=O)c1onc(C)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VBMAOANNQDDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-10(13)11(17-15-7)12(16)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,16).
What are the key properties of 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5307577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).