5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C17H29N3O — CID 52511253

IUPAC5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC[C@H]2C2CCCCC2)no1
InChIInChI=1S/C17H29N3O/c1-17(2,3)16-18-15(19-21-16)12-20-11-7-10-14(20)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyAXPMEHUGNPHDJN-AWEZNQCLSA-N
MW291.44 g/mol
LogP3.91
Rot. Bonds3

About 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 52511253) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID52511253
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC[C@H]2C2CCCCC2)no1
InChIInChI=1S/C17H29N3O/c1-17(2,3)16-18-15(19-21-16)12-20-11-7-10-14(20)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyAXPMEHUGNPHDJN-AWEZNQCLSA-N
XLogP3.91
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 52511253) is 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCC[C@H]2C2CCCCC2)no1.
What is the InChIKey of 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AXPMEHUGNPHDJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)16-18-15(19-21-16)12-20-11-7-10-14(20)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 291.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 52511253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).