5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole

C9H9ClN2O — CID 143054135

IUPAC5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=CCCC(Cl)=C2)n1
InChIInChI=1S/C9H9ClN2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h3,5H,2,4H2,1H3
InChIKeyBLNWQTTXPFSFMU-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.68
Rot. Bonds1

About 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole

5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 143054135) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID143054135
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=CCCC(Cl)=C2)n1
InChIInChI=1S/C9H9ClN2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h3,5H,2,4H2,1H3
InChIKeyBLNWQTTXPFSFMU-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole
CID 131114238
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
CID 146637112
5-(5,6-dimethylpyridazin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 142380148
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 131159756
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 170993654
bis[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl] oxalate
CID 57124299
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole (CID 143054135) is 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2=CCCC(Cl)=C2)n1.
What is the InChIKey of 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is BLNWQTTXPFSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h3,5H,2,4H2,1H3.
What are the key properties of 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole?
5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 196.64 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 143054135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).