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

C19H19FN2O2 — CID 43069123

IUPAC3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23)
InChIKeyKDJUIISYOIFDEM-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.50
Rot. Bonds4

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

3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 43069123) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID43069123
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23)
InChIKeyKDJUIISYOIFDEM-UHFFFAOYSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.50
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-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 43069123) is 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1C(C)NC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KDJUIISYOIFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43069123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).