1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H19N3O2 — CID 116808997

IUPAC1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(N2CCCCCC2)no1
InChIInChI=1S/C11H19N3O2/c1-9(15)8-10-12-11(13-16-10)14-6-4-2-3-5-7-14/h9,15H,2-8H2,1H3
InChIKeyOCEHVZPAFOSPIX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.37
Rot. Bonds3

About 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 116808997) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID116808997
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(N2CCCCCC2)no1
InChIInChI=1S/C11H19N3O2/c1-9(15)8-10-12-11(13-16-10)14-6-4-2-3-5-7-14/h9,15H,2-8H2,1H3
InChIKeyOCEHVZPAFOSPIX-UHFFFAOYSA-N
XLogP1.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
1,1,1-trifluoro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808915
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527519
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116809357
3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116809352
5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167920358
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 116808997) is 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)Cc1nc(N2CCCCCC2)no1.
What is the InChIKey of 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is OCEHVZPAFOSPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(15)8-10-12-11(13-16-10)14-6-4-2-3-5-7-14/h9,15H,2-8H2,1H3.
What are the key properties of 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 116808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).