3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile

C10H13N3O2 — CID 106524881

IUPAC3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESN#CCCc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(13-15-9)8-3-2-6-14-7-8/h8H,1-4,6-7H2
InChIKeyHXXDMWYIHKJUNO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds3

About 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile

3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (PubChem CID 106524881) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
PubChem CID106524881
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
SMILESN#CCCc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(13-15-9)8-3-2-6-14-7-8/h8H,1-4,6-7H2
InChIKeyHXXDMWYIHKJUNO-UHFFFAOYSA-N
XLogP1.42
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65333430
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 65332325
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482970
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
4-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65334904
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The IUPAC name of 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile (CID 106524881) is 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile.
What is the SMILES notation for 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The canonical SMILES for 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is N#CCCc1nc(C2CCCOC2)no1.
What is the InChIKey of 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
The InChIKey is HXXDMWYIHKJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-5-1-4-9-12-10(13-15-9)8-3-2-6-14-7-8/h8H,1-4,6-7H2.
What are the key properties of 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile?
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile has a molecular weight of 207.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile is sourced from PubChem (CID 106524881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).