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

C16H11F3N2O2 — CID 17095754

IUPACN-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H11F3N2O2/c17-10-3-1-9(2-4-10)14-8-15(23-21-14)16(22)20-13-6-5-11(18)7-12(13)19/h1-7,15H,8H2,(H,20,22)
InChIKeyYJHNSBFMFSBLOL-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.24
Rot. Bonds3

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

N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095754) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095754
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H11F3N2O2/c17-10-3-1-9(2-4-10)14-8-15(23-21-14)16(22)20-13-6-5-11(18)7-12(13)19/h1-7,15H,8H2,(H,20,22)
InChIKeyYJHNSBFMFSBLOL-UHFFFAOYSA-N
XLogP3.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095754) is N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(F)cc1F)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YJHNSBFMFSBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-10-3-1-9(2-4-10)14-8-15(23-21-14)16(22)20-13-6-5-11(18)7-12(13)19/h1-7,15H,8H2,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).