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

C11H9ClN2O2 — CID 7668119

IUPACN-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)on1
InChIInChI=1S/C11H9ClN2O2/c1-7-6-10(16-14-7)11(15)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15)
InChIKeyZQYYHGJUVCQYLR-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.89
Rot. Bonds2

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

N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 7668119) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID7668119
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)on1
InChIInChI=1S/C11H9ClN2O2/c1-7-6-10(16-14-7)11(15)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15)
InChIKeyZQYYHGJUVCQYLR-UHFFFAOYSA-N
XLogP2.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Avl-3288
CID 16005981
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173847
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065341
4-chloro-N-(3-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194510
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095605
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
N-(3-chlorophenyl)-5-isopropylisoxazole-3-carboxamide
CID 3240071
Ccmi
CID 17757386
N1-(4-chlorophenyl)-2-[(5-methylisoxazol-3-yl)carbonyl]hydrazine-1-carboxamide
CID 2743503

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 7668119) is N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2)on1.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZQYYHGJUVCQYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-6-10(16-14-7)11(15)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,13,15).
What are the key properties of N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7668119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).