N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C18H15N3O4 — CID 75438483

IUPACN-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCOc1ccccc1C(C#N)NC(=O)c1cccc2c1oc(=O)n2C
InChIInChI=1S/C18H15N3O4/c1-21-14-8-5-7-12(16(14)25-18(21)23)17(22)20-13(10-19)11-6-3-4-9-15(11)24-2/h3-9,13H,1-2H3,(H,20,22)
InChIKeyMGKLEULAAQUOFT-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.13
Rot. Bonds4

About N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 75438483) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID75438483
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCOc1ccccc1C(C#N)NC(=O)c1cccc2c1oc(=O)n2C
InChIInChI=1S/C18H15N3O4/c1-21-14-8-5-7-12(16(14)25-18(21)23)17(22)20-13(10-19)11-6-3-4-9-15(11)24-2/h3-9,13H,1-2H3,(H,20,22)
InChIKeyMGKLEULAAQUOFT-UHFFFAOYSA-N
XLogP2.13
TPSA97.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[cyano-(2-methoxyphenyl)methyl]-2-nitrobenzamide
CID 75514742
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 99793440
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 100615787
N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 95236514
N-[cyano-(2-methoxyphenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 111464535
N-[(R)-cyano-(2,3-dichlorophenyl)methyl]-2-(methoxymethyl)benzamide
CID 124593537
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 124776852
N-[cyano-(2-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 56785344
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 75438483) is N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is COc1ccccc1C(C#N)NC(=O)c1cccc2c1oc(=O)n2C.
What is the InChIKey of N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is MGKLEULAAQUOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-21-14-8-5-7-12(16(14)25-18(21)23)17(22)20-13(10-19)11-6-3-4-9-15(11)24-2/h3-9,13H,1-2H3,(H,20,22).
What are the key properties of N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 75438483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).