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

C14H15ClN2O2 — CID 17174120

IUPACN-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H15ClN2O2/c1-4-11-13(9(3)19-17-11)14(18)16-12-7-10(15)6-5-8(12)2/h5-7H,4H2,1-3H3,(H,16,18)
InChIKeyNLIVDTSGYIAASM-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.76
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17174120) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17174120
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H15ClN2O2/c1-4-11-13(9(3)19-17-11)14(18)16-12-7-10(15)6-5-8(12)2/h5-7H,4H2,1-3H3,(H,16,18)
InChIKeyNLIVDTSGYIAASM-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174025
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805488
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
3-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,2-oxazole-4-carboxamide
CID 112691333
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
1-(4-chlorophenyl)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiourea
CID 9317348
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17174120) is N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NLIVDTSGYIAASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-11-13(9(3)19-17-11)14(18)16-12-7-10(15)6-5-8(12)2/h5-7H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17174120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).