5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H17F2N3O — CID 133480686

IUPAC5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C15H17F2N3O/c1-9(2)14-18-15(21-19-14)20-7-6-10(8-20)13-11(16)4-3-5-12(13)17/h3-5,9-10H,6-8H2,1-2H3
InChIKeyTZPYMBNJXXCMHA-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.47
Rot. Bonds3

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

5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 133480686) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID133480686
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C15H17F2N3O/c1-9(2)14-18-15(21-19-14)20-7-6-10(8-20)13-11(16)4-3-5-12(13)17/h3-5,9-10H,6-8H2,1-2H3
InChIKeyTZPYMBNJXXCMHA-UHFFFAOYSA-N
XLogP3.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 133480686) is 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(c3c(F)cccc3F)C2)n1.
What is the InChIKey of 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is TZPYMBNJXXCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9(2)14-18-15(21-19-14)20-7-6-10(8-20)13-11(16)4-3-5-12(13)17/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 293.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133480686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).