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

C18H15FN2O3 — CID 3236317

IUPACN-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C18H15FN2O3/c1-11(22)12-4-8-15(9-5-12)20-18(23)17-10-16(21-24-17)13-2-6-14(19)7-3-13/h2-9,17H,10H2,1H3,(H,20,23)
InChIKeyLEGVOMLQZWNAFK-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.16
Rot. Bonds4

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

N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3236317) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3236317
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C18H15FN2O3/c1-11(22)12-4-8-15(9-5-12)20-18(23)17-10-16(21-24-17)13-2-6-14(19)7-3-13/h2-9,17H,10H2,1H3,(H,20,23)
InChIKeyLEGVOMLQZWNAFK-UHFFFAOYSA-N
XLogP3.16
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3236317) is N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LEGVOMLQZWNAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11(22)12-4-8-15(9-5-12)20-18(23)17-10-16(21-24-17)13-2-6-14(19)7-3-13/h2-9,17H,10H2,1H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3236317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).