[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol

C9H11F2NO2 — CID 130752325

IUPAC[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1C1CCCC1(F)F
InChIInChI=1S/C9H11F2NO2/c10-9(11)3-1-2-6(9)8-7(4-13)12-5-14-8/h5-6,13H,1-4H2
InChIKeyCCFBKBSGKFNSFY-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.07
Rot. Bonds2

About [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol

[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol (PubChem CID 130752325) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol
PubChem CID130752325
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1C1CCCC1(F)F
InChIInChI=1S/C9H11F2NO2/c10-9(11)3-1-2-6(9)8-7(4-13)12-5-14-8/h5-6,13H,1-4H2
InChIKeyCCFBKBSGKFNSFY-UHFFFAOYSA-N
XLogP2.07
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol (CID 130752325) is [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol is OCc1ncoc1C1CCCC1(F)F.
What is the InChIKey of [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is CCFBKBSGKFNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-9(11)3-1-2-6(9)8-7(4-13)12-5-14-8/h5-6,13H,1-4H2.
What are the key properties of [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol?
[5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 203.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluorocyclopentyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 130752325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).