1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine

C12H22N4O — CID 103576788

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2nc(C(C)(C)C)no2)CC1N
InChIInChI=1S/C12H22N4O/c1-8-5-16(6-9(8)13)7-10-14-11(15-17-10)12(2,3)4/h8-9H,5-7,13H2,1-4H3
InChIKeyIIVDLLNHUPOMSE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.15
Rot. Bonds2

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576788) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103576788
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2nc(C(C)(C)C)no2)CC1N
InChIInChI=1S/C12H22N4O/c1-8-5-16(6-9(8)13)7-10-14-11(15-17-10)12(2,3)4/h8-9H,5-7,13H2,1-4H3
InChIKeyIIVDLLNHUPOMSE-UHFFFAOYSA-N
XLogP1.15
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine 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

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 79867470
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
CID 103577122
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine (CID 103576788) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2nc(C(C)(C)C)no2)CC1N.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is IIVDLLNHUPOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-5-16(6-9(8)13)7-10-14-11(15-17-10)12(2,3)4/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).