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

C11H12FNO2 — CID 57429670

IUPAC[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)5-11-6-10(7-14)13-15-11/h1-4,11,14H,5-7H2
InChIKeyOJLKGFACCCCZBL-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.51
Rot. Bonds3

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

[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 57429670) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID57429670
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)5-11-6-10(7-14)13-15-11/h1-4,11,14H,5-7H2
InChIKeyOJLKGFACCCCZBL-UHFFFAOYSA-N
XLogP1.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 57429670) is [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol is OCC1=NOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is OJLKGFACCCCZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)5-11-6-10(7-14)13-15-11/h1-4,11,14H,5-7H2.
What are the key properties of [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 209.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 57429670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).