2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole

C9H14N2O — CID 163509088

IUPAC2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole
SMILESC/C=C(/C)CCc1nnc(C)o1
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-9-11-10-8(3)12-9/h4H,5-6H2,1-3H3/b7-4-
InChIKeyDBDASRREYRJERG-DAXSKMNVSA-N
MW166.22 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole

2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole (PubChem CID 163509088) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole
PubChem CID163509088
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole
SMILESC/C=C(/C)CCc1nnc(C)o1
InChIInChI=1S/C9H14N2O/c1-4-7(2)5-6-9-11-10-8(3)12-9/h4H,5-6H2,1-3H3/b7-4-
InChIKeyDBDASRREYRJERG-DAXSKMNVSA-N
XLogP2.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-2-one
CID 167517152
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
CID 135389336
3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butan-2-one
CID 15582700
O-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
CID 59479251
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole (CID 163509088) is 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole is C/C=C(/C)CCc1nnc(C)o1.
What is the InChIKey of 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole?
The InChIKey is DBDASRREYRJERG-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)5-6-9-11-10-8(3)12-9/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole?
2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole has a molecular weight of 166.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-3-methylpent-3-enyl]-1,3,4-oxadiazole is sourced from PubChem (CID 163509088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).