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

C20H20N2O3 — CID 162662202

IUPAC2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(-c2ccccc2)coc1=O
InChIInChI=1S/C20H20N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)22-18(15-25-20(22)24)17-12-5-2-6-13-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23)
InChIKeyYXQGVMQWSDJOAC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.69
Rot. Bonds6

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

2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162662202) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162662202
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(-c2ccccc2)coc1=O
InChIInChI=1S/C20H20N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)22-18(15-25-20(22)24)17-12-5-2-6-13-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23)
InChIKeyYXQGVMQWSDJOAC-UHFFFAOYSA-N
XLogP3.69
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.69
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-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162662202) is 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(-c2ccccc2)coc1=O.
What is the InChIKey of 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is YXQGVMQWSDJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(21-14-8-7-11-16-9-3-1-4-10-16)22-18(15-25-20(22)24)17-12-5-2-6-13-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23).
What are the key properties of 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162662202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).