N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

C17H16N2O4 — CID 110766573

IUPACN-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H16N2O4/c1-3-22-13-7-5-12(6-8-13)18-16(20)11-4-9-14-15(10-11)23-17(21)19(14)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyYBPXWAZGOXVPIL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.78
Rot. Bonds4

About N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766573) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766573
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H16N2O4/c1-3-22-13-7-5-12(6-8-13)18-16(20)11-4-9-14-15(10-11)23-17(21)19(14)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyYBPXWAZGOXVPIL-UHFFFAOYSA-N
XLogP2.78
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
N-(4-ethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610716
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide
CID 46249208
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766573) is N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is YBPXWAZGOXVPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-13-7-5-12(6-8-13)18-16(20)11-4-9-14-15(10-11)23-17(21)19(14)2/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).