2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide

C17H16N2O3 — CID 118513811

IUPAC2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-16(18-12-6-9-13-7-2-1-3-8-13)19-14-10-4-5-11-15(14)22-17(19)21/h1-5,7-8,10-11H,6,9,12H2,(H,18,20)
InChIKeyQOXAWFVYIBPGFM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds4

About 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide

2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513811) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513811
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-16(18-12-6-9-13-7-2-1-3-8-13)19-14-10-4-5-11-15(14)22-17(19)21/h1-5,7-8,10-11H,6,9,12H2,(H,18,20)
InChIKeyQOXAWFVYIBPGFM-UHFFFAOYSA-N
XLogP2.79
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
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-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide (CID 118513811) is 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCc1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is QOXAWFVYIBPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(18-12-6-9-13-7-2-1-3-8-13)19-14-10-4-5-11-15(14)22-17(19)21/h1-5,7-8,10-11H,6,9,12H2,(H,18,20).
What are the key properties of 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide?
2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-phenylpropyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).