N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

C14H15ClN2O3 — CID 110681059

IUPACN-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(C)n(C)oc2=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c1-7-5-8(2)12(10(15)6-7)16-13(18)11-9(3)17(4)20-14(11)19/h5-6H,1-4H3,(H,16,18)
InChIKeyPDSVUHMJWXIQEC-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.81
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110681059) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110681059
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(C)n(C)oc2=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c1-7-5-8(2)12(10(15)6-7)16-13(18)11-9(3)17(4)20-14(11)19/h5-6H,1-4H3,(H,16,18)
InChIKeyPDSVUHMJWXIQEC-UHFFFAOYSA-N
XLogP2.81
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167943386
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N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
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N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
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N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
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2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (CID 110681059) is N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2c(C)n(C)oc2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is PDSVUHMJWXIQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-7-5-8(2)12(10(15)6-7)16-13(18)11-9(3)17(4)20-14(11)19/h5-6H,1-4H3,(H,16,18).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).