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

C15H14F2N2O2 — CID 22586631

IUPAC(2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C15H14F2N2O2/c1-9-8-12(18-21-9)13-6-3-7-19(13)15(20)14-10(16)4-2-5-11(14)17/h2,4-5,8,13H,3,6-7H2,1H3
InChIKeyXHCPHDIOGVRLAA-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.24
Rot. Bonds2

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

(2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586631) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586631
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name(2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C15H14F2N2O2/c1-9-8-12(18-21-9)13-6-3-7-19(13)15(20)14-10(16)4-2-5-11(14)17/h2,4-5,8,13H,3,6-7H2,1H3
InChIKeyXHCPHDIOGVRLAA-UHFFFAOYSA-N
XLogP3.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.24
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-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586631) is (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2c(F)cccc2F)no1.
What is the InChIKey of (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XHCPHDIOGVRLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-8-12(18-21-9)13-6-3-7-19(13)15(20)14-10(16)4-2-5-11(14)17/h2,4-5,8,13H,3,6-7H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 292.28 g/mol, XLogP of 3.24, 2 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-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).