5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

C20H19FN2O3 — CID 162656601

IUPAC5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H19FN2O3/c21-17-11-9-16(10-12-17)18-14-23(20(25)26-18)19(24)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,24)
InChIKeyXLDOAPXUSWTIAI-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.83
Rot. Bonds6

About 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162656601) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162656601
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H19FN2O3/c21-17-11-9-16(10-12-17)18-14-23(20(25)26-18)19(24)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,24)
InChIKeyXLDOAPXUSWTIAI-UHFFFAOYSA-N
XLogP3.83
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.83
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

5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663658
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162655749
6-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513804
5-(2-fluorophenyl)-2-oxo-N-(5-phenylpentyl)-1,3-benzoxazole-3-carboxamide
CID 118518775
7-(4-fluorobenzoyl)-3-[1-(5-phenylpentylamino)ethenyl]-1,3-benzoxazol-2-one
CID 139499620
1-[(4-fluorophenyl)methyl]-3-(4-phenylbutyl)thiourea
CID 17283317
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
[2,4-dioxo-1-(7-phenylheptylcarbamoyl)pyrimidin-5-yl] acetate
CID 162666025
8-phenyloctylcarbamic acid
CID 90271205
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162656601) is 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1cc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is XLDOAPXUSWTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-17-11-9-16(10-12-17)18-14-23(20(25)26-18)19(24)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,24).
What are the key properties of 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162656601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).