[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

C12H22N4O — CID 113319990

IUPAC[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)c1noc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)12-14-11(17-15-12)7-16-6-10(5-13)4-9(16)3/h8-10H,4-7,13H2,1-3H3
InChIKeyHZXBHQIWNGMGAE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds4

About [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 113319990) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID113319990
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)c1noc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C12H22N4O/c1-8(2)12-14-11(17-15-12)7-16-6-10(5-13)4-9(16)3/h8-10H,4-7,13H2,1-3H3
InChIKeyHZXBHQIWNGMGAE-UHFFFAOYSA-N
XLogP1.36
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 113319990) is [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is CC(C)c1noc(CN2CC(CN)CC2C)n1.
What is the InChIKey of [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HZXBHQIWNGMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)12-14-11(17-15-12)7-16-6-10(5-13)4-9(16)3/h8-10H,4-7,13H2,1-3H3.
What are the key properties of [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 113319990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).