N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide

C15H12N2O3 — CID 110765121

IUPACN-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H12N2O3/c1-19-12-4-2-3-11(8-12)17-15(18)10-5-6-13-14(7-10)20-9-16-13/h2-9H,1H3,(H,17,18)
InChIKeyFDOSROXHWZUCES-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.09
Rot. Bonds3

About N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide

N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765121) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765121
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H12N2O3/c1-19-12-4-2-3-11(8-12)17-15(18)10-5-6-13-14(7-10)20-9-16-13/h2-9H,1H3,(H,17,18)
InChIKeyFDOSROXHWZUCES-UHFFFAOYSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide (CID 110765121) is N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide is COc1cccc(NC(=O)c2ccc3ncoc3c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is FDOSROXHWZUCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-12-4-2-3-11(8-12)17-15(18)10-5-6-13-14(7-10)20-9-16-13/h2-9H,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide?
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).