5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide

C25H23FN2O3 — CID 118518775

IUPAC5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1c(=O)oc2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C25H23FN2O3/c26-21-13-7-6-12-20(21)19-14-15-23-22(17-19)28(25(30)31-23)24(29)27-16-8-2-5-11-18-9-3-1-4-10-18/h1,3-4,6-7,9-10,12-15,17H,2,5,8,11,16H2,(H,27,29)
InChIKeyLUGBUGPCOUMMGZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.37
Rot. Bonds7

About 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide

5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 118518775) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
PubChem CID118518775
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1c(=O)oc2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C25H23FN2O3/c26-21-13-7-6-12-20(21)19-14-15-23-22(17-19)28(25(30)31-23)24(29)27-16-8-2-5-11-18-9-3-1-4-10-18/h1,3-4,6-7,9-10,12-15,17H,2,5,8,11,16H2,(H,27,29)
InChIKeyLUGBUGPCOUMMGZ-UHFFFAOYSA-N
XLogP5.37
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.37
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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Related Compounds

6-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513804
5-nitro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513794
2-oxo-N-(6-phenylhexyl)-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole-3-carboxamide
CID 162613230
2-oxo-N-(4-phenylbutyl)-6-piperazin-1-yl-1,3-benzoxazole-3-carboxamide;hydrochloride
CID 155522026
6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 155546788
5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162656601
2-oxo-N-(4-thiophen-2-ylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513796
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
7-(4-fluorobenzoyl)-3-[1-(5-phenylpentylamino)ethenyl]-1,3-benzoxazol-2-one
CID 139499620
8-phenyloctylcarbamic acid
CID 90271205
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663658

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide (CID 118518775) is 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCCc1ccccc1)n1c(=O)oc2ccc(-c3ccccc3F)cc21.
What is the InChIKey of 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is LUGBUGPCOUMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-21-13-7-6-12-20(21)19-14-15-23-22(17-19)28(25(30)31-23)24(29)27-16-8-2-5-11-18-9-3-1-4-10-18/h1,3-4,6-7,9-10,12-15,17H,2,5,8,11,16H2,(H,27,29).
What are the key properties of 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide?
5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118518775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).