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

C11H10FNO2 — CID 82048699

IUPAC[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
SMILESCc1cc(-c2cc(CO)no2)ccc1F
InChIInChI=1S/C11H10FNO2/c1-7-4-8(2-3-10(7)12)11-5-9(6-14)13-15-11/h2-5,14H,6H2,1H3
InChIKeyQCUSZHFGDYOTKK-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.28
Rot. Bonds2

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

[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 82048699) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
PubChem CID82048699
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
SMILESCc1cc(-c2cc(CO)no2)ccc1F
InChIInChI=1S/C11H10FNO2/c1-7-4-8(2-3-10(7)12)11-5-9(6-14)13-15-11/h2-5,14H,6H2,1H3
InChIKeyQCUSZHFGDYOTKK-UHFFFAOYSA-N
XLogP2.28
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
5-(4-Methylphenyl)isoxazole-3-carboxylic acid
CID 973883
5-[2-(Propan-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2-oxazole-3-carboxylic acid
CID 17759601
5-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-2-(propan-2-yl)phenyl}-1,2-oxazole-3-carboxylic acid
CID 17759720
3-Benzyl-5-phenylisoxazole
CID 849566
2-(4-(3,5-Dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10131968

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol (CID 82048699) is [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol is Cc1cc(-c2cc(CO)no2)ccc1F.
What is the InChIKey of [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is QCUSZHFGDYOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-7-4-8(2-3-10(7)12)11-5-9(6-14)13-15-11/h2-5,14H,6H2,1H3.
What are the key properties of [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol?
[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 207.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 82048699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).