3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C14H23N3O — CID 63145192

IUPAC3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCCC(c2noc(C3(C)CCNC3)n2)C1
InChIInChI=1S/C14H23N3O/c1-10-4-3-5-11(8-10)12-16-13(18-17-12)14(2)6-7-15-9-14/h10-11,15H,3-9H2,1-2H3
InChIKeyBDGARNQBQUATMS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.61
Rot. Bonds2

About 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63145192) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63145192
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCCC(c2noc(C3(C)CCNC3)n2)C1
InChIInChI=1S/C14H23N3O/c1-10-4-3-5-11(8-10)12-16-13(18-17-12)14(2)6-7-15-9-14/h10-11,15H,3-9H2,1-2H3
InChIKeyBDGARNQBQUATMS-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63145192) is 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC1CCCC(c2noc(C3(C)CCNC3)n2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is BDGARNQBQUATMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-4-3-5-11(8-10)12-16-13(18-17-12)14(2)6-7-15-9-14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).