(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol

C12H12FNO3 — CID 114282584

IUPAC(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2coc(C)n2)c1F
InChIInChI=1S/C12H12FNO3/c1-7-14-9(6-17-7)12(15)8-4-3-5-10(16-2)11(8)13/h3-6,12,15H,1-2H3
InChIKeyQXPOZVRXDDQCSV-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.21
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol

(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol (PubChem CID 114282584) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
PubChem CID114282584
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2coc(C)n2)c1F
InChIInChI=1S/C12H12FNO3/c1-7-14-9(6-17-7)12(15)8-4-3-5-10(16-2)11(8)13/h3-6,12,15H,1-2H3
InChIKeyQXPOZVRXDDQCSV-UHFFFAOYSA-N
XLogP2.21
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964
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CID 114554105
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
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(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 82792775
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol (CID 114282584) is (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol is COc1cccc(C(O)c2coc(C)n2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol?
The InChIKey is QXPOZVRXDDQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-7-14-9(6-17-7)12(15)8-4-3-5-10(16-2)11(8)13/h3-6,12,15H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol has a molecular weight of 237.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 114282584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).