1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol

C13H14FNO3 — CID 55148614

IUPAC1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1cc(COc2cc(F)ccc2C(C)O)on1
InChIInChI=1S/C13H14FNO3/c1-8-5-11(18-15-8)7-17-13-6-10(14)3-4-12(13)9(2)16/h3-6,9,16H,7H2,1-2H3
InChIKeyZPJADTUAVYFUHN-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol

1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 55148614) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
PubChem CID55148614
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1cc(COc2cc(F)ccc2C(C)O)on1
InChIInChI=1S/C13H14FNO3/c1-8-5-11(18-15-8)7-17-13-6-10(14)3-4-12(13)9(2)16/h3-6,9,16H,7H2,1-2H3
InChIKeyZPJADTUAVYFUHN-UHFFFAOYSA-N
XLogP2.75
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 63068020
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(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-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
(1R)-1-[1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalen-2-yl]ethanol
CID 78933872
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol (CID 55148614) is 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol is Cc1cc(COc2cc(F)ccc2C(C)O)on1.
What is the InChIKey of 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is ZPJADTUAVYFUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8-5-11(18-15-8)7-17-13-6-10(14)3-4-12(13)9(2)16/h3-6,9,16H,7H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol?
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 251.26 g/mol, XLogP of 2.75, 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-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55148614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).