3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

C10H18N2O2 — CID 63716697

IUPAC3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(C)c1noc(C(C)C(C)O)n1
InChIInChI=1S/C10H18N2O2/c1-5-6(2)9-11-10(14-12-9)7(3)8(4)13/h6-8,13H,5H2,1-4H3
InChIKeyLKPYXQBFUVHLGR-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.07
Rot. Bonds4

About 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63716697) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63716697
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(C)c1noc(C(C)C(C)O)n1
InChIInChI=1S/C10H18N2O2/c1-5-6(2)9-11-10(14-12-9)7(3)8(4)13/h6-8,13H,5H2,1-4H3
InChIKeyLKPYXQBFUVHLGR-UHFFFAOYSA-N
XLogP2.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 55231273
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345228
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096193
methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate
CID 112569150

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63716697) is 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CCC(C)c1noc(C(C)C(C)O)n1.
What is the InChIKey of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is LKPYXQBFUVHLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-6(2)9-11-10(14-12-9)7(3)8(4)13/h6-8,13H,5H2,1-4H3.
What are the key properties of 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63716697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).