2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C24H22N2O3 — CID 118513841

IUPAC2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
InChIKeyUAGLATGVJCLIQU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.84
Rot. Bonds6

About 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513841) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513841
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
InChIKeyUAGLATGVJCLIQU-UHFFFAOYSA-N
XLogP4.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513841) is 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(=O)oc2c(-c3ccccc3)cccc21.
What is the InChIKey of 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is UAGLATGVJCLIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27).
What are the key properties of 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).