5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole

C19H16F4N2O — CID 171651156

IUPAC5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(F)c1-c1c(F)ccc(F)c1C1CC(N2CCCC2)=NO1
InChIInChI=1S/C19H16F4N2O/c20-11-4-3-5-12(21)17(11)19-14(23)7-6-13(22)18(19)15-10-16(24-26-15)25-8-1-2-9-25/h3-7,15H,1-2,8-10H2
InChIKeyDIUBKNNVZGEILK-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.78
Rot. Bonds2

About 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole

5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole (PubChem CID 171651156) has the molecular formula C19H16F4N2O and a molecular weight of 364.34 g/mol. Its IUPAC name is 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
PubChem CID171651156
Molecular FormulaC19H16F4N2O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC Name5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(F)c1-c1c(F)ccc(F)c1C1CC(N2CCCC2)=NO1
InChIInChI=1S/C19H16F4N2O/c20-11-4-3-5-12(21)17(11)19-14(23)7-6-13(22)18(19)15-10-16(24-26-15)25-8-1-2-9-25/h3-7,15H,1-2,8-10H2
InChIKeyDIUBKNNVZGEILK-UHFFFAOYSA-N
XLogP4.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole (CID 171651156) is 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole is Fc1cccc(F)c1-c1c(F)ccc(F)c1C1CC(N2CCCC2)=NO1.
What is the InChIKey of 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is DIUBKNNVZGEILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O/c20-11-4-3-5-12(21)17(11)19-14(23)7-6-13(22)18(19)15-10-16(24-26-15)25-8-1-2-9-25/h3-7,15H,1-2,8-10H2.
What are the key properties of 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole?
5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 364.34 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-difluorophenyl)-3,6-difluorophenyl]-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171651156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).