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

C19H19FN2O2 — CID 16682031

IUPAC3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-5-7-14(8-6-13)9-10-21-19(23)18-12-17(22-24-18)15-3-2-4-16(20)11-15/h2-8,11,18H,9-10,12H2,1H3,(H,21,23)
InChIKeyQYFNFRPGCOVAPW-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.99
Rot. Bonds5

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

3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16682031) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16682031
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-5-7-14(8-6-13)9-10-21-19(23)18-12-17(22-24-18)15-3-2-4-16(20)11-15/h2-8,11,18H,9-10,12H2,1H3,(H,21,23)
InChIKeyQYFNFRPGCOVAPW-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16682031) is 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CCNC(=O)C2CC(c3cccc(F)c3)=NO2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QYFNFRPGCOVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-5-7-14(8-6-13)9-10-21-19(23)18-12-17(22-24-18)15-3-2-4-16(20)11-15/h2-8,11,18H,9-10,12H2,1H3,(H,21,23).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).