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

C18H15F3N2O2 — CID 43071746

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)C1CC(c2cccc(F)c2)=NO1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F3N2O2/c1-10(14-6-5-13(20)8-15(14)21)22-18(24)17-9-16(23-25-17)11-3-2-4-12(19)7-11/h2-8,10,17H,9H2,1H3,(H,22,24)
InChIKeyBRUXCXXMWUSEFV-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.47
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 43071746) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID43071746
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)C1CC(c2cccc(F)c2)=NO1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F3N2O2/c1-10(14-6-5-13(20)8-15(14)21)22-18(24)17-9-16(23-25-17)11-3-2-4-12(19)7-11/h2-8,10,17H,9H2,1H3,(H,22,24)
InChIKeyBRUXCXXMWUSEFV-UHFFFAOYSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 43071746) is N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(NC(=O)C1CC(c2cccc(F)c2)=NO1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BRUXCXXMWUSEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-10(14-6-5-13(20)8-15(14)21)22-18(24)17-9-16(23-25-17)11-3-2-4-12(19)7-11/h2-8,10,17H,9H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43071746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).