5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

C8H10F2N2O — CID 130616625

IUPAC5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2ccno2)C1
InChIInChI=1S/C8H10F2N2O/c9-8(10)2-4-12(6-8)5-7-1-3-11-13-7/h1,3H,2,4-6H2
InChIKeyTVKYNXMZCOKCMC-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.52
Rot. Bonds2

About 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (PubChem CID 130616625) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
PubChem CID130616625
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
SMILESFC1(F)CCN(Cc2ccno2)C1
InChIInChI=1S/C8H10F2N2O/c9-8(10)2-4-12(6-8)5-7-1-3-11-13-7/h1,3H,2,4-6H2
InChIKeyTVKYNXMZCOKCMC-UHFFFAOYSA-N
XLogP1.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole (CID 130616625) is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is FC1(F)CCN(Cc2ccno2)C1.
What is the InChIKey of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is TVKYNXMZCOKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)2-4-12(6-8)5-7-1-3-11-13-7/h1,3H,2,4-6H2.
What are the key properties of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole?
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 188.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 130616625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).