N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H13ClN2O2 — CID 715469

IUPACN-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-8-12(9(2)18-16-8)13(17)15-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGVMWZYDFCNLYFR-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.87
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 715469) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID715469
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-8-12(9(2)18-16-8)13(17)15-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGVMWZYDFCNLYFR-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682415
3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 75459913
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
3-(2-chloro-6-fluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33305648
N-benzyl-3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136589669
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 715469) is N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GVMWZYDFCNLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-12(9(2)18-16-8)13(17)15-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 715469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).