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

C18H25N3O — CID 46956676

IUPAC3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(CN2CCC(c3nc(C(C)(C)C)no3)C2)c1
InChIInChI=1S/C18H25N3O/c1-13-6-5-7-14(10-13)11-21-9-8-15(12-21)16-19-17(20-22-16)18(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3
InChIKeyWHZHZJXFJUHVRH-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.67
Rot. Bonds3

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

3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 46956676) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID46956676
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(CN2CCC(c3nc(C(C)(C)C)no3)C2)c1
InChIInChI=1S/C18H25N3O/c1-13-6-5-7-14(10-13)11-21-9-8-15(12-21)16-19-17(20-22-16)18(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3
InChIKeyWHZHZJXFJUHVRH-UHFFFAOYSA-N
XLogP3.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-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

Related Compounds

3-tert-butyl-5-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 46956678
3-tert-butyl-5-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92552733
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
3-tert-butyl-5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224431
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole
CID 75131872
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 46956676) is 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1cccc(CN2CCC(c3nc(C(C)(C)C)no3)C2)c1.
What is the InChIKey of 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is WHZHZJXFJUHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-6-5-7-14(10-13)11-21-9-8-15(12-21)16-19-17(20-22-16)18(2,3)4/h5-7,10,15H,8-9,11-12H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 299.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 46956676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).