(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C17H18F2N2O2 — CID 22586682

IUPAC(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C17H18F2N2O2/c1-10(2)15-9-13(20-23-15)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyJXADKJKKVCDVNQ-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.05
Rot. Bonds3

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

(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586682) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586682
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C17H18F2N2O2/c1-10(2)15-9-13(20-23-15)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3
InChIKeyJXADKJKKVCDVNQ-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586682) is (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1.
What is the InChIKey of (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JXADKJKKVCDVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-10(2)15-9-13(20-23-15)14-7-4-8-21(14)17(22)16-11(18)5-3-6-12(16)19/h3,5-6,9-10,14H,4,7-8H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 320.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).