7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide

C26H23FN2O4 — CID 118514386

IUPAC7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(c1ccc(F)cc1)c1cccc2c1oc(=O)n2C(=O)NCCCCCc1ccccc1
InChIInChI=1S/C26H23FN2O4/c27-20-15-13-19(14-16-20)23(30)21-11-7-12-22-24(21)33-26(32)29(22)25(31)28-17-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,7-9,11-16H,2,5-6,10,17H2,(H,28,31)
InChIKeySPUGNXNDEUEAON-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.94
Rot. Bonds8

About 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide

7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118514386) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118514386
Molecular FormulaC26H23FN2O4
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC Name7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(c1ccc(F)cc1)c1cccc2c1oc(=O)n2C(=O)NCCCCCc1ccccc1
InChIInChI=1S/C26H23FN2O4/c27-20-15-13-19(14-16-20)23(30)21-11-7-12-22-24(21)33-26(32)29(22)25(31)28-17-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,7-9,11-16H,2,5-6,10,17H2,(H,28,31)
InChIKeySPUGNXNDEUEAON-UHFFFAOYSA-N
XLogP4.94
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (CID 118514386) is 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is O=C(c1ccc(F)cc1)c1cccc2c1oc(=O)n2C(=O)NCCCCCc1ccccc1.
What is the InChIKey of 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is SPUGNXNDEUEAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c27-20-15-13-19(14-16-20)23(30)21-11-7-12-22-24(21)33-26(32)29(22)25(31)28-17-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,7-9,11-16H,2,5-6,10,17H2,(H,28,31).
What are the key properties of 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorobenzoyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).