N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide

C19H20N2O3 — CID 118513818

IUPACN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)24-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22)
InChIKeyGAJRNVNAABIKKD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide

N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 118513818) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID118513818
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCc1ccc(CCCCNC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)24-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22)
InChIKeyGAJRNVNAABIKKD-UHFFFAOYSA-N
XLogP3.48
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.48
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 N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide (CID 118513818) is N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide is Cc1ccc(CCCCNC(=O)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is GAJRNVNAABIKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)24-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).