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

C5H8FNO2 — CID 129018358

IUPAC[5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(CF)C1
InChIInChI=1S/C5H8FNO2/c6-2-5-1-4(3-8)7-9-5/h5,8H,1-3H2
InChIKeyRYSNWHNXMBBFMN-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.09
Rot. Bonds2

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

[5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 129018358) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID129018358
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name[5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(CF)C1
InChIInChI=1S/C5H8FNO2/c6-2-5-1-4(3-8)7-9-5/h5,8H,1-3H2
InChIKeyRYSNWHNXMBBFMN-UHFFFAOYSA-N
XLogP0.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 129018358) is [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is OCC1=NOC(CF)C1.
What is the InChIKey of [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is RYSNWHNXMBBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-2-5-1-4(3-8)7-9-5/h5,8H,1-3H2.
What are the key properties of [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 133.12 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 129018358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).