2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole

C16H14N2O — CID 142689273

IUPAC2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
SMILESC=C1C=CC(c2nnc(C3=CCC(=C)C=C3)o2)=CC1
InChIInChI=1S/C16H14N2O/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3,5,7-10H,1-2,4,6H2
InChIKeyQBSOPSAZXOULJM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.87
Rot. Bonds2

About 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole

2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole (PubChem CID 142689273) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
PubChem CID142689273
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
SMILESC=C1C=CC(c2nnc(C3=CCC(=C)C=C3)o2)=CC1
InChIInChI=1S/C16H14N2O/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3,5,7-10H,1-2,4,6H2
InChIKeyQBSOPSAZXOULJM-UHFFFAOYSA-N
XLogP3.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole (CID 142689273) is 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole is C=C1C=CC(c2nnc(C3=CCC(=C)C=C3)o2)=CC1.
What is the InChIKey of 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The InChIKey is QBSOPSAZXOULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h3,5,7-10H,1-2,4,6H2.
What are the key properties of 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 142689273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).