3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole

C17H24N4O — CID 11472119

IUPAC3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2noc(-c3cnccn3)n2)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-4-5-13-6-8-14(9-7-13)16-20-17(22-21-16)15-12-18-10-11-19-15/h10-14H,2-9H2,1H3
InChIKeyRHTPBQBEWGMQIT-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.38
Rot. Bonds6

About 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole

3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 11472119) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID11472119
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2noc(-c3cnccn3)n2)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-4-5-13-6-8-14(9-7-13)16-20-17(22-21-16)15-12-18-10-11-19-15/h10-14H,2-9H2,1H3
InChIKeyRHTPBQBEWGMQIT-UHFFFAOYSA-N
XLogP4.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 55150898
5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 11301774
3-(4-hexylcyclohexyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 4693342
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
3-(4-butylcyclohexyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095325
5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 3417863
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-[4-(4-octylphenyl)phenyl]-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100644
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
5-(4-bromophenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100648
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
CID 143066868
3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 2179964

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 11472119) is 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole is CCCCCC1CCC(c2noc(-c3cnccn3)n2)CC1.
What is the InChIKey of 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is RHTPBQBEWGMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-4-5-13-6-8-14(9-7-13)16-20-17(22-21-16)15-12-18-10-11-19-15/h10-14H,2-9H2,1H3.
What are the key properties of 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 300.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 11472119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).