3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile

C10H15N3O — CID 106523800

IUPAC3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCC(CC#N)Cc1nc(C(C)C)no1
InChIInChI=1S/C10H15N3O/c1-7(2)10-12-9(14-13-10)6-8(3)4-5-11/h7-8H,4,6H2,1-3H3
InChIKeyCCKFUNYCVYVUTE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile

3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile (PubChem CID 106523800) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile
PubChem CID106523800
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCC(CC#N)Cc1nc(C(C)C)no1
InChIInChI=1S/C10H15N3O/c1-7(2)10-12-9(14-13-10)6-8(3)4-5-11/h7-8H,4,6H2,1-3H3
InChIKeyCCKFUNYCVYVUTE-UHFFFAOYSA-N
XLogP2.29
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526944
4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106527658
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106527029
3-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527591
3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525367
3-methyl-4-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524922
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
3-methyl-4-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526041
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
3-hydroxy-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525804
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526091
3-methyl-4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525746

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The IUPAC name of 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile (CID 106523800) is 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile.
What is the SMILES notation for 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The canonical SMILES for 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile is CC(CC#N)Cc1nc(C(C)C)no1.
What is the InChIKey of 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
The InChIKey is CCKFUNYCVYVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)10-12-9(14-13-10)6-8(3)4-5-11/h7-8H,4,6H2,1-3H3.
What are the key properties of 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile?
3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile has a molecular weight of 193.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanenitrile is sourced from PubChem (CID 106523800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).