3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C13H22N2O3 — CID 113391746

IUPAC3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(C)C(O)Cc1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H22N2O3/c1-9(2)11(16)8-13-14-12(15-18-13)7-10-5-3-4-6-17-10/h9-11,16H,3-8H2,1-2H3
InChIKeyVEHRFLUKWBGVAE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.74
Rot. Bonds5

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

3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 113391746) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID113391746
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(C)C(O)Cc1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H22N2O3/c1-9(2)11(16)8-13-14-12(15-18-13)7-10-5-3-4-6-17-10/h9-11,16H,3-8H2,1-2H3
InChIKeyVEHRFLUKWBGVAE-UHFFFAOYSA-N
XLogP1.74
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113391743
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345481
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
N-cyclopentyl-2-[5-(2-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 86801808
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99716263
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 113391746) is 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(C)C(O)Cc1nc(CC2CCCCO2)no1.
What is the InChIKey of 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is VEHRFLUKWBGVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)11(16)8-13-14-12(15-18-13)7-10-5-3-4-6-17-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 113391746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).