ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole

C15H26N2OS — CID 142363844

IUPACethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESC=C(/C=C\C(=C)c1nnc(SC)o1)CC.CC.CC
InChIInChI=1S/C11H14N2OS.2C2H6/c1-5-8(2)6-7-9(3)10-12-13-11(14-10)15-4;2*1-2/h6-7H,2-3,5H2,1,4H3;2*1-2H3/b7-6-;;
InChIKeyOBUDMQLRRLPUHB-AQTVDGORSA-N
MW282.45 g/mol
LogP5.38
Rot. Bonds5

About ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole

ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 142363844) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID142363844
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Nameethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESC=C(/C=C\C(=C)c1nnc(SC)o1)CC.CC.CC
InChIInChI=1S/C11H14N2OS.2C2H6/c1-5-8(2)6-7-9(3)10-12-13-11(14-10)15-4;2*1-2/h6-7H,2-3,5H2,1,4H3;2*1-2H3/b7-6-;;
InChIKeyOBUDMQLRRLPUHB-AQTVDGORSA-N
XLogP5.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole 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-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3,4-oxadiazole
CID 17955419
2-Cyclohexa-1,5-dien-1-yl-5-methylsulfanyl-1,3,4-oxadiazole
CID 89299680
2-Hepta-1,3,5-trien-4-yl-5-methyl-1,3,4-oxadiazole
CID 123142500
2-Methyl-5-(5-methylocta-1,3,5-trien-2-yl)-1,3,4-oxadiazole
CID 123504577
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole
CID 134485087
ethane;2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 142363857
2-Methylsulfanyl-5-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
CID 142513509
ethane;2-[(3E,5Z)-8-ethenylundeca-3,5,8-trien-4-yl]-5-methyl-1,3,4-oxadiazole
CID 142996586
2-ethyl-5-[(2E,4Z,6Z)-5-methylocta-2,4,6-trien-2-yl]-1,3,4-oxadiazole
CID 143043509
ethene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole;methanethiol
CID 143108400
2-Cyclohepta-1,3,6-trien-1-yl-5-methyl-1,3,4-oxadiazole;propane
CID 143217369
2-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 143317667

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole (CID 142363844) is ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole is C=C(/C=C\C(=C)c1nnc(SC)o1)CC.CC.CC.
What is the InChIKey of ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is OBUDMQLRRLPUHB-AQTVDGORSA-N. The full InChI is InChI=1S/C11H14N2OS.2C2H6/c1-5-8(2)6-7-9(3)10-12-13-11(14-10)15-4;2*1-2/h6-7H,2-3,5H2,1,4H3;2*1-2H3/b7-6-;;.
What are the key properties of ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole?
ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 282.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 142363844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).