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

C10H18N2O3 — CID 63719467

IUPAC1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
SMILESCCC(C)c1noc(CC(O)COC)n1
InChIInChI=1S/C10H18N2O3/c1-4-7(2)10-11-9(15-12-10)5-8(13)6-14-3/h7-8,13H,4-6H2,1-3H3
InChIKeyIOOKVWQIVDEIQT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.13
Rot. Bonds6

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

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol (PubChem CID 63719467) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
PubChem CID63719467
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
SMILESCCC(C)c1noc(CC(O)COC)n1
InChIInChI=1S/C10H18N2O3/c1-4-7(2)10-11-9(15-12-10)5-8(13)6-14-3/h7-8,13H,4-6H2,1-3H3
InChIKeyIOOKVWQIVDEIQT-UHFFFAOYSA-N
XLogP1.13
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349395
1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114282135
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 63717997
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63718564
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol (CID 63719467) is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol is CCC(C)c1noc(CC(O)COC)n1.
What is the InChIKey of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol?
The InChIKey is IOOKVWQIVDEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-7(2)10-11-9(15-12-10)5-8(13)6-14-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol?
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 63719467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).