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

C15H19FN2O2 — CID 81282056

IUPAC1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
SMILESCc1cc(F)ccc1-c1noc(CC(O)CC(C)C)n1
InChIInChI=1S/C15H19FN2O2/c1-9(2)6-12(19)8-14-17-15(18-20-14)13-5-4-11(16)7-10(13)3/h4-5,7,9,12,19H,6,8H2,1-3H3
InChIKeyQGQXQUFTBRUUKR-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.13
Rot. Bonds5

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

1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol (PubChem CID 81282056) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
PubChem CID81282056
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
SMILESCc1cc(F)ccc1-c1noc(CC(O)CC(C)C)n1
InChIInChI=1S/C15H19FN2O2/c1-9(2)6-12(19)8-14-17-15(18-20-14)13-5-4-11(16)7-10(13)3/h4-5,7,9,12,19H,6,8H2,1-3H3
InChIKeyQGQXQUFTBRUUKR-UHFFFAOYSA-N
XLogP3.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81273058
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526095
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 81273431
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 81282139
2-amino-1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 81272933
1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 103084073
N-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 81261798
ethyl 3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 81273600
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81273491
1-[3-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 112751732
N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63065066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The IUPAC name of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol (CID 81282056) is 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The canonical SMILES for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol is Cc1cc(F)ccc1-c1noc(CC(O)CC(C)C)n1.
What is the InChIKey of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
The InChIKey is QGQXQUFTBRUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)6-12(19)8-14-17-15(18-20-14)13-5-4-11(16)7-10(13)3/h4-5,7,9,12,19H,6,8H2,1-3H3.
What are the key properties of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol?
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol has a molecular weight of 278.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol is sourced from PubChem (CID 81282056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).