3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol

C15H19FN2O3 — CID 107923162

IUPAC3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
SMILESCOc1cc(-c2noc(C(C(C)C)C(C)O)n2)ccc1F
InChIInChI=1S/C15H19FN2O3/c1-8(2)13(9(3)19)15-17-14(18-21-15)10-5-6-11(16)12(7-10)20-4/h5-9,13,19H,1-4H3
InChIKeyOWRLAAJGEJOSFI-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.00
Rot. Bonds5

About 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol

3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol (PubChem CID 107923162) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
PubChem CID107923162
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
SMILESCOc1cc(-c2noc(C(C(C)C)C(C)O)n2)ccc1F
InChIInChI=1S/C15H19FN2O3/c1-8(2)13(9(3)19)15-17-14(18-21-15)10-5-6-11(16)12(7-10)20-4/h5-9,13,19H,1-4H3
InChIKeyOWRLAAJGEJOSFI-UHFFFAOYSA-N
XLogP3.00
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 107923151
2-amino-1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114016203
1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107922402
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 106793379
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
CID 107922504
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
CID 136969288
N-[[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 107922415
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The IUPAC name of 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol (CID 107923162) is 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol.
What is the SMILES notation for 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The canonical SMILES for 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol is COc1cc(-c2noc(C(C(C)C)C(C)O)n2)ccc1F.
What is the InChIKey of 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The InChIKey is OWRLAAJGEJOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8(2)13(9(3)19)15-17-14(18-21-15)10-5-6-11(16)12(7-10)20-4/h5-9,13,19H,1-4H3.
What are the key properties of 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol has a molecular weight of 294.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol is sourced from PubChem (CID 107923162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).