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

C13H14N2O2 — CID 110857774

IUPACN-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2conc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-17-15-9(12)2/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyCLFWDCWYCHXOQT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.80
Rot. Bonds3

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

N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110857774) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID110857774
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2conc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-17-15-9(12)2/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyCLFWDCWYCHXOQT-UHFFFAOYSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 110857774) is N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is CCc1ccc(NC(=O)c2conc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CLFWDCWYCHXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-17-15-9(12)2/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110857774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).