6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C23H26N2O4 — CID 155535152

IUPAC6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCOCC3)ccc21
InChIInChI=1S/C23H26N2O4/c26-22(24-13-5-4-8-17-6-2-1-3-7-17)25-20-10-9-19(16-21(20)29-23(25)27)18-11-14-28-15-12-18/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,24,26)
InChIKeySEZSWYOCLAOYGD-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.07
Rot. Bonds6

About 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 155535152) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID155535152
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCOCC3)ccc21
InChIInChI=1S/C23H26N2O4/c26-22(24-13-5-4-8-17-6-2-1-3-7-17)25-20-10-9-19(16-21(20)29-23(25)27)18-11-14-28-15-12-18/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,24,26)
InChIKeySEZSWYOCLAOYGD-UHFFFAOYSA-N
XLogP4.07
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-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 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 155535152) is 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCOCC3)ccc21.
What is the InChIKey of 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is SEZSWYOCLAOYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(24-13-5-4-8-17-6-2-1-3-7-17)25-20-10-9-19(16-21(20)29-23(25)27)18-11-14-28-15-12-18/h1-3,6-7,9-10,16,18H,4-5,8,11-15H2,(H,24,26).
What are the key properties of 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155535152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).