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

C11H18N2O3 — CID 65328569

IUPAC1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C11H18N2O3/c1-2-4-8(14)7-10-12-11(13-16-10)9-5-3-6-15-9/h8-9,14H,2-7H2,1H3
InChIKeyYNCRAQGUPGDAQV-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.62
Rot. Bonds5

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

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 65328569) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID65328569
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C11H18N2O3/c1-2-4-8(14)7-10-12-11(13-16-10)9-5-3-6-15-9/h8-9,14H,2-7H2,1H3
InChIKeyYNCRAQGUPGDAQV-UHFFFAOYSA-N
XLogP1.62
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65328682
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349766
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116732892
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 65351655
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79664685
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114282135

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 65328569) is 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(C2CCCO2)no1.
What is the InChIKey of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is YNCRAQGUPGDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-4-8(14)7-10-12-11(13-16-10)9-5-3-6-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 226.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 65328569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).