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

C20H21FN2O2 — CID 16681858

IUPAC3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H21FN2O2/c21-17-11-6-10-16(13-17)18-14-19(25-23-18)20(24)22-12-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-11,13,19H,4-5,9,12,14H2,(H,22,24)
InChIKeyXWOAPIMPIXOARH-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.46
Rot. Bonds7

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

3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681858) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681858
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C20H21FN2O2/c21-17-11-6-10-16(13-17)18-14-19(25-23-18)20(24)22-12-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-11,13,19H,4-5,9,12,14H2,(H,22,24)
InChIKeyXWOAPIMPIXOARH-UHFFFAOYSA-N
XLogP3.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681858) is 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCCCc1ccccc1)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XWOAPIMPIXOARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-11-6-10-16(13-17)18-14-19(25-23-18)20(24)22-12-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-11,13,19H,4-5,9,12,14H2,(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-phenylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).