(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane

C12H15F2NO — CID 158785233

IUPAC(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.C[C@H]1CON=C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO.C2H6/c1-6-5-14-13-10(6)7-2-3-8(11)9(12)4-7;1-2/h2-4,6H,5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyIRPBTMLFAPFJNG-RGMNGODLSA-N
MW227.25 g/mol
LogP3.36
Rot. Bonds1

About (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane

(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane (PubChem CID 158785233) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane.

Molecular Properties

Compound Name(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane
PubChem CID158785233
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.C[C@H]1CON=C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO.C2H6/c1-6-5-14-13-10(6)7-2-3-8(11)9(12)4-7;1-2/h2-4,6H,5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyIRPBTMLFAPFJNG-RGMNGODLSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane?
The IUPAC name of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane (CID 158785233) is (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane.
What is the SMILES notation for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane?
The canonical SMILES for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane is CC.C[C@H]1CON=C1c1ccc(F)c(F)c1.
What is the InChIKey of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane?
The InChIKey is IRPBTMLFAPFJNG-RGMNGODLSA-N. The full InChI is InChI=1S/C10H9F2NO.C2H6/c1-6-5-14-13-10(6)7-2-3-8(11)9(12)4-7;1-2/h2-4,6H,5H2,1H3;1-2H3/t6-;/m0./s1.
What are the key properties of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane?
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane has a molecular weight of 227.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane is sourced from PubChem (CID 158785233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).