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

C11H20N2O3 — CID 116780588

IUPAC1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(C)(CC)OC)no1
InChIInChI=1S/C11H20N2O3/c1-5-8(14)7-9-12-10(13-16-9)11(3,6-2)15-4/h8,14H,5-7H2,1-4H3
InChIKeyGMEKVQSRZQFBCO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.65
Rot. Bonds6

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

1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 116780588) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID116780588
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(C)(CC)OC)no1
InChIInChI=1S/C11H20N2O3/c1-5-8(14)7-9-12-10(13-16-9)11(3,6-2)15-4/h8,14H,5-7H2,1-4H3
InChIKeyGMEKVQSRZQFBCO-UHFFFAOYSA-N
XLogP1.65
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 82007979
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116780972
N-ethyl-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116780973
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
2-[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 116743957
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 116780588) is 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCC(O)Cc1nc(C(C)(CC)OC)no1.
What is the InChIKey of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is GMEKVQSRZQFBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-8(14)7-9-12-10(13-16-9)11(3,6-2)15-4/h8,14H,5-7H2,1-4H3.
What are the key properties of 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 228.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 116780588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).