7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C19H20N2O3 — CID 118513786

IUPAC7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCc1cccc2c1oc(=O)n2C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14-8-7-12-16-17(14)24-19(23)21(16)18(22)20-13-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,20,22)
InChIKeyAXDCZLBKICDYMS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds5

About 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513786) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513786
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCc1cccc2c1oc(=O)n2C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14-8-7-12-16-17(14)24-19(23)21(16)18(22)20-13-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,20,22)
InChIKeyAXDCZLBKICDYMS-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 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513786) is 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is Cc1cccc2c1oc(=O)n2C(=O)NCCCCc1ccccc1.
What is the InChIKey of 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is AXDCZLBKICDYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-8-7-12-16-17(14)24-19(23)21(16)18(22)20-13-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,20,22).
What are the key properties of 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
7-methyl-2-oxo-N-(4-phenylbutyl)-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 7-methyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).