4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile

C9H13N3O2 — CID 106524226

IUPAC4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCOCCc1noc(CCCC#N)n1
InChIInChI=1S/C9H13N3O2/c1-13-7-5-8-11-9(14-12-8)4-2-3-6-10/h2-5,7H2,1H3
InChIKeyOEZRFVPALCJNKY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.10
Rot. Bonds6

About 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile (PubChem CID 106524226) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
PubChem CID106524226
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCOCCc1noc(CCCC#N)n1
InChIInChI=1S/C9H13N3O2/c1-13-7-5-8-11-9(14-12-8)4-2-3-6-10/h2-5,7H2,1H3
InChIKeyOEZRFVPALCJNKY-UHFFFAOYSA-N
XLogP1.10
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106523822
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527740
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525720
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile (CID 106524226) is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile is COCCc1noc(CCCC#N)n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The InChIKey is OEZRFVPALCJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-13-7-5-8-11-9(14-12-8)4-2-3-6-10/h2-5,7H2,1H3.
What are the key properties of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile has a molecular weight of 195.22 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile is sourced from PubChem (CID 106524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).