5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C25H24N2O4 — CID 118513827

IUPAC5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc(-c2ccc3oc(=O)n(C(=O)NCCCCc4ccccc4)c3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-23-22(17-20)27(25(29)31-23)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
InChIKeyWXOYFFMUMQVXGO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.85
Rot. Bonds7

About 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513827) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513827
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc(-c2ccc3oc(=O)n(C(=O)NCCCCc4ccccc4)c3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-23-22(17-20)27(25(29)31-23)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
InChIKeyWXOYFFMUMQVXGO-UHFFFAOYSA-N
XLogP4.85
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513827) is 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is COc1ccc(-c2ccc3oc(=O)n(C(=O)NCCCCc4ccccc4)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is WXOYFFMUMQVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-23-22(17-20)27(25(29)31-23)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28).
What are the key properties of 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).