2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile

C8H10N4O — CID 106527584

IUPAC2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(N2CCCC2)no1
InChIInChI=1S/C8H10N4O/c9-4-3-7-10-8(11-13-7)12-5-1-2-6-12/h1-3,5-6H2
InChIKeyBAEWBHGORYUINB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.74
Rot. Bonds2

About 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile (PubChem CID 106527584) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
PubChem CID106527584
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(N2CCCC2)no1
InChIInChI=1S/C8H10N4O/c9-4-3-7-10-8(11-13-7)12-5-1-2-6-12/h1-3,5-6H2
InChIKeyBAEWBHGORYUINB-UHFFFAOYSA-N
XLogP0.74
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527519
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
3-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]pentanenitrile
CID 106527590
5-methyl-3-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carbonitrile
CID 106527573
O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527047
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 116806939
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116808839
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 116808522

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile (CID 106527584) is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile is N#CCc1nc(N2CCCC2)no1.
What is the InChIKey of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
The InChIKey is BAEWBHGORYUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-4-3-7-10-8(11-13-7)12-5-1-2-6-12/h1-3,5-6H2.
What are the key properties of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile?
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile is sourced from PubChem (CID 106527584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).