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

C13H22N2O3 — CID 113391743

IUPAC2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H22N2O3/c1-3-11(16)9(2)13-14-12(15-18-13)8-10-6-4-5-7-17-10/h9-11,16H,3-8H2,1-2H3
InChIKeyJNTLVLBHVZSYDF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.06
Rot. Bonds5

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

2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 113391743) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID113391743
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H22N2O3/c1-3-11(16)9(2)13-14-12(15-18-13)8-10-6-4-5-7-17-10/h9-11,16H,3-8H2,1-2H3
InChIKeyJNTLVLBHVZSYDF-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-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

1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561422
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561817
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 86786122

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 113391743) is 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(CC2CCCCO2)no1.
What is the InChIKey of 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is JNTLVLBHVZSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-11(16)9(2)13-14-12(15-18-13)8-10-6-4-5-7-17-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 254.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 113391743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).