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

C17H15FN2O2 — CID 3236938

IUPAC3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C17H15FN2O2/c1-11-2-8-14(9-3-11)19-17(21)16-10-15(20-22-16)12-4-6-13(18)7-5-12/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyUJAGMSMITAZBSP-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.27
Rot. Bonds3

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

3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3236938) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3236938
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C17H15FN2O2/c1-11-2-8-14(9-3-11)19-17(21)16-10-15(20-22-16)12-4-6-13(18)7-5-12/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyUJAGMSMITAZBSP-UHFFFAOYSA-N
XLogP3.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3236938) is 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UJAGMSMITAZBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-2-8-14(9-3-11)19-17(21)16-10-15(20-22-16)12-4-6-13(18)7-5-12/h2-9,16H,10H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3236938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).