5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C18H17FN2O3 — CID 118513840

IUPAC5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(F)cc21
InChIInChI=1S/C18H17FN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
InChIKeyUEJYFBZAWBPORU-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.31
Rot. Bonds5

About 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118513840) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118513840
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(F)cc21
InChIInChI=1S/C18H17FN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
InChIKeyUEJYFBZAWBPORU-UHFFFAOYSA-N
XLogP3.31
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.31
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 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 118513840) is 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is UEJYFBZAWBPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22).
What are the key properties of 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).