2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile

C9H13N3O2 — CID 106527228

IUPAC2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCCC(C)(OC)c1noc(CC#N)n1
InChIInChI=1S/C9H13N3O2/c1-4-9(2,13-3)8-11-7(5-6-10)14-12-8/h4-5H2,1-3H3
InChIKeyPWXBKECRFULLLU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile

2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile (PubChem CID 106527228) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
PubChem CID106527228
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCCC(C)(OC)c1noc(CC#N)n1
InChIInChI=1S/C9H13N3O2/c1-4-9(2,13-3)8-11-7(5-6-10)14-12-8/h4-5H2,1-3H3
InChIKeyPWXBKECRFULLLU-UHFFFAOYSA-N
XLogP1.41
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile 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

2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527167
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116780972
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527236
4-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 116740363
N-ethyl-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116780973
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017694
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile (CID 106527228) is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile is CCC(C)(OC)c1noc(CC#N)n1.
What is the InChIKey of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The InChIKey is PWXBKECRFULLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-9(2,13-3)8-11-7(5-6-10)14-12-8/h4-5H2,1-3H3.
What are the key properties of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile?
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile has a molecular weight of 195.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile is sourced from PubChem (CID 106527228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).