1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C14H26N2O2 — CID 114282135

IUPAC1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(C(C)C)C(C)C)no1
InChIInChI=1S/C14H26N2O2/c1-6-7-11(17)8-12-15-14(16-18-12)13(9(2)3)10(4)5/h9-11,13,17H,6-8H2,1-5H3
InChIKeyWSBCEZXUCXNQDD-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.17
Rot. Bonds7

About 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 114282135) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID114282135
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(C(C)C)C(C)C)no1
InChIInChI=1S/C14H26N2O2/c1-6-7-11(17)8-12-15-14(16-18-12)13(9(2)3)10(4)5/h9-11,13,17H,6-8H2,1-5H3
InChIKeyWSBCEZXUCXNQDD-UHFFFAOYSA-N
XLogP3.17
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol with MolForge

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Related Compounds

1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116732892
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443194
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65141561
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 107504625
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349444
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 114282135) is 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(C(C(C)C)C(C)C)no1.
What is the InChIKey of 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is WSBCEZXUCXNQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-7-11(17)8-12-15-14(16-18-12)13(9(2)3)10(4)5/h9-11,13,17H,6-8H2,1-5H3.
What are the key properties of 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 114282135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).