1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol

C12H12FNO3 — CID 63068020

IUPAC1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1ccno1
InChIInChI=1S/C12H12FNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6,8,15H,7H2,1H3
InChIKeyMBERFQTVTHUHAI-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.45
Rot. Bonds4

About 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol

1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol (PubChem CID 63068020) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
PubChem CID63068020
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1ccno1
InChIInChI=1S/C12H12FNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6,8,15H,7H2,1H3
InChIKeyMBERFQTVTHUHAI-UHFFFAOYSA-N
XLogP2.45
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 43503809
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 55188831
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol (CID 63068020) is 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol is CC(O)c1ccc(F)cc1OCc1ccno1.
What is the InChIKey of 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The InChIKey is MBERFQTVTHUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol has a molecular weight of 237.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 63068020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).