N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

C17H16N2O4 — CID 110766493

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H16N2O4/c1-19-13-8-7-11(9-15(13)23-17(19)21)16(20)18-10-12-5-3-4-6-14(12)22-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVDEDQXWVBDMCID-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.07
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766493) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766493
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H16N2O4/c1-19-13-8-7-11(9-15(13)23-17(19)21)16(20)18-10-12-5-3-4-6-14(12)22-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVDEDQXWVBDMCID-UHFFFAOYSA-N
XLogP2.07
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27252855
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide
CID 101408520
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55560014
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766493) is N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is COc1ccccc1CNC(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is VDEDQXWVBDMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19-13-8-7-11(9-15(13)23-17(19)21)16(20)18-10-12-5-3-4-6-14(12)22-2/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).