4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide

C12H11ClN2O2 — CID 6622837

IUPAC4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)N(C)c2ccccc2)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-10(13)11(17-14-8)12(16)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyOHHMUJCMDLYJCZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.91
Rot. Bonds2

About 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide

4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 6622837) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID6622837
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)N(C)c2ccccc2)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-10(13)11(17-14-8)12(16)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyOHHMUJCMDLYJCZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065341
4-chloro-N-(3-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194510
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 17095608
4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
4-Chloro-3-methyl-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide
CID 5307577
4-Chloro-3-methylisoxazol-5-yl 4-(4-fluorophenyl)piperazinyl ketone
CID 5308711
[4-(4-Fluorophenyl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 8065346
N-benzyl-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 9550479
4-chloro-3-methyl-N-(4-methylphenyl)-5-isoxazolecarboxamide
CID 9550985
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
CID 9550988
4-Chloro-3-methylisoxazol-5-yl 4-phenylpiperazinyl ketone
CID 17095612
4-chloro-N-(4-cyanophenyl)-3-methylisoxazole-5-carboxamide
CID 24761546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide (CID 6622837) is 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)N(C)c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is OHHMUJCMDLYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-10(13)11(17-14-8)12(16)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide?
4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,3-dimethyl-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6622837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).