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

C17H16N2O5 — CID 110766578

IUPACN-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1
InChIInChI=1S/C17H16N2O5/c1-19-13-7-4-10(8-15(13)24-17(19)21)16(20)18-12-6-5-11(22-2)9-14(12)23-3/h4-9H,1-3H3,(H,18,20)
InChIKeyROABUQCFDPRQSV-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.40
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766578) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766578
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1
InChIInChI=1S/C17H16N2O5/c1-19-13-7-4-10(8-15(13)24-17(19)21)16(20)18-12-6-5-11(22-2)9-14(12)23-3/h4-9H,1-3H3,(H,18,20)
InChIKeyROABUQCFDPRQSV-UHFFFAOYSA-N
XLogP2.40
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388020
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 86887242
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 17171775
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766578) is N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is ROABUQCFDPRQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-19-13-7-4-10(8-15(13)24-17(19)21)16(20)18-12-6-5-11(22-2)9-14(12)23-3/h4-9H,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).