2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole

C11H14N2O2 — CID 70911400

IUPAC2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2=CCC(OC)C=C2)o1
InChIInChI=1S/C11H14N2O2/c1-3-10-12-13-11(15-10)8-4-6-9(14-2)7-5-8/h4-6,9H,3,7H2,1-2H3
InChIKeyNINLTEZKGKHLJE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.99
Rot. Bonds3

About 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole

2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole (PubChem CID 70911400) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
PubChem CID70911400
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2=CCC(OC)C=C2)o1
InChIInChI=1S/C11H14N2O2/c1-3-10-12-13-11(15-10)8-4-6-9(14-2)7-5-8/h4-6,9H,3,7H2,1-2H3
InChIKeyNINLTEZKGKHLJE-UHFFFAOYSA-N
XLogP1.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E,3Z)-3-[(2Z)-2-ethylidene-4-methylcyclohexylidene]prop-1-enyl]-5-[(2Z,5Z)-6-fluoro-5-propan-2-yloxyhexa-2,5-dienyl]-1,3,4-oxadiazole
CID 146580621
2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
CID 143331096
2-Cyclohexa-1,5-dien-1-yl-5-methyl-1,3,4-oxadiazole
CID 17955419
Lithium 2-methyl-5-phenyl-1,3,4-oxadiazole
CID 59501365
2-Cyclohexa-1,5-dien-1-yl-5-methylsulfanyl-1,3,4-oxadiazole
CID 89299680
2-Cyclohexa-1,5-dien-1-yl-5-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-1,3,4-oxadiazole
CID 90758501
2-Hepta-1,3,5-trien-4-yl-5-methyl-1,3,4-oxadiazole
CID 123142500
2-Methyl-5-(4-methylhexa-2,4-dien-3-yl)-1,3,4-oxadiazole
CID 123258191
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
2-Cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole
CID 142093028
2-[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 142173908

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole (CID 70911400) is 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole is CCc1nnc(C2=CCC(OC)C=C2)o1.
What is the InChIKey of 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
The InChIKey is NINLTEZKGKHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-10-12-13-11(15-10)8-4-6-9(14-2)7-5-8/h4-6,9H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole?
2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole has a molecular weight of 206.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxycyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 70911400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).