1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

C13H15FN2O2 — CID 63346038

IUPAC1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C13H15FN2O2/c1-8(2)11(17)7-12-15-13(16-18-12)9-4-3-5-10(14)6-9/h3-6,8,11,17H,7H2,1-2H3
InChIKeyCJNDFGBGXSIUEO-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.44
Rot. Bonds4

About 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (PubChem CID 63346038) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
PubChem CID63346038
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C13H15FN2O2/c1-8(2)11(17)7-12-15-13(16-18-12)9-4-3-5-10(14)6-9/h3-6,8,11,17H,7H2,1-2H3
InChIKeyCJNDFGBGXSIUEO-UHFFFAOYSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 82803204
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
3-(3-fluorophenyl)-5-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-1,2,4-oxadiazole
CID 99037879
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63348646
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 60835917
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
N-ethyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55200693
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (CID 63346038) is 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is CC(C)C(O)Cc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The InChIKey is CJNDFGBGXSIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(2)11(17)7-12-15-13(16-18-12)9-4-3-5-10(14)6-9/h3-6,8,11,17H,7H2,1-2H3.
What are the key properties of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol has a molecular weight of 250.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 63346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).