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

C25H24N2O4 — CID 118513805

IUPAC6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
InChIKeyIRGZDLYISPWHSN-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.85
Rot. Bonds7

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

6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513805) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513805
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
InChIKeyIRGZDLYISPWHSN-UHFFFAOYSA-N
XLogP4.85
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.85
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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Related Compounds

CID 118513812
CID 118513812
CID 10408385
CID 10408385
CID 70689088
CID 70689088
CID 70695397
CID 70695397
CID 10808906
CID 10808906
CID 52941350
CID 52941350
CID 101913545
CID 101913545
CID 101913546
CID 101913546
CID 118513786
CID 118513786
CID 118513792
CID 118513792
CID 118513793
CID 118513793
CID 118513800
CID 118513800

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513805) is 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is COc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is IRGZDLYISPWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28).
What are the key properties of 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).