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

C19H20N2O3 — CID 118513809

IUPAC2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H20N2O3/c22-18(21-16-12-6-7-13-17(16)24-19(21)23)20-14-8-2-5-11-15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2,(H,20,22)
InChIKeySGGVMRBCQDCZRN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.57
Rot. Bonds6

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

2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513809) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513809
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H20N2O3/c22-18(21-16-12-6-7-13-17(16)24-19(21)23)20-14-8-2-5-11-15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2,(H,20,22)
InChIKeySGGVMRBCQDCZRN-UHFFFAOYSA-N
XLogP3.57
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.57
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-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (CID 118513809) is 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCCc1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is SGGVMRBCQDCZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(21-16-12-6-7-13-17(16)24-19(21)23)20-14-8-2-5-11-15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2,(H,20,22).
What are the key properties of 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).