N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C17H16N2O3 — CID 110766453

IUPACN-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc(C)c1
InChIInChI=1S/C17H16N2O3/c1-3-19(13-6-4-5-11(2)9-13)16(20)12-7-8-14-15(10-12)22-17(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyYAYUJOBICHAGHH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.10
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 110766453) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID110766453
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc(C)c1
InChIInChI=1S/C17H16N2O3/c1-3-19(13-6-4-5-11(2)9-13)16(20)12-7-8-14-15(10-12)22-17(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyYAYUJOBICHAGHH-UHFFFAOYSA-N
XLogP3.10
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
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CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
6-(2,5-dimethylbenzoyl)-3H-1,3-benzoxazol-2-one
CID 43161901
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
3-acetamido-N-ethyl-4-methoxy-N-(3-methylphenyl)benzamide
CID 110764336
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 110766453) is N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide is CCN(C(=O)c1ccc2[nH]c(=O)oc2c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is YAYUJOBICHAGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-19(13-6-4-5-11(2)9-13)16(20)12-7-8-14-15(10-12)22-17(21)18-14/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).