6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C19H20N2O4 — CID 118513821

IUPAC6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)oc(=O)n2C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-24-15-10-11-16-17(13-15)25-19(23)21(16)18(22)20-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22)
InChIKeyMOMQAUXFOKQHPX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.18
Rot. Bonds6

About 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513821) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513821
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)oc(=O)n2C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-24-15-10-11-16-17(13-15)25-19(23)21(16)18(22)20-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22)
InChIKeyMOMQAUXFOKQHPX-UHFFFAOYSA-N
XLogP3.18
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513821) is 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is COc1ccc2c(c1)oc(=O)n2C(=O)NCCCCc1ccccc1.
What is the InChIKey of 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is MOMQAUXFOKQHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-15-10-11-16-17(13-15)25-19(23)21(16)18(22)20-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22).
What are the key properties of 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).