4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile

C9H14N4O — CID 106527426

IUPAC4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCCN(C)c1noc(CCCC#N)n1
InChIInChI=1S/C9H14N4O/c1-3-13(2)9-11-8(14-12-9)6-4-5-7-10/h3-6H2,1-2H3
InChIKeyDITDPABMUOCHKP-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.37
Rot. Bonds5

About 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile

4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile (PubChem CID 106527426) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile.

Molecular Properties

Compound Name4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
PubChem CID106527426
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCCN(C)c1noc(CCCC#N)n1
InChIInChI=1S/C9H14N4O/c1-3-13(2)9-11-8(14-12-9)6-4-5-7-10/h3-6H2,1-2H3
InChIKeyDITDPABMUOCHKP-UHFFFAOYSA-N
XLogP1.37
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.37
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
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116808238
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
N-ethyl-5-[2-(ethylamino)propyl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808213
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116809022
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
N-ethyl-N-methyl-5-[2-(propylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809384
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116808870

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile?
The IUPAC name of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile (CID 106527426) is 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile.
What is the SMILES notation for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile?
The canonical SMILES for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile is CCN(C)c1noc(CCCC#N)n1.
What is the InChIKey of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile?
The InChIKey is DITDPABMUOCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-13(2)9-11-8(14-12-9)6-4-5-7-10/h3-6H2,1-2H3.
What are the key properties of 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile?
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile has a molecular weight of 194.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile is sourced from PubChem (CID 106527426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).