[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

C11H19N3O — CID 120967309

IUPAC[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)(CN)C2)on1
InChIInChI=1S/C11H19N3O/c1-9-5-10(15-13-9)6-14-4-3-11(2,7-12)8-14/h5H,3-4,6-8,12H2,1-2H3
InChIKeyLPFDZRJJBDWINY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.15
Rot. Bonds3

About [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120967309) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120967309
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)(CN)C2)on1
InChIInChI=1S/C11H19N3O/c1-9-5-10(15-13-9)6-14-4-3-11(2,7-12)8-14/h5H,3-4,6-8,12H2,1-2H3
InChIKeyLPFDZRJJBDWINY-UHFFFAOYSA-N
XLogP1.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[1-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780711
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 120771771
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
CID 64952344
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
3-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2-oxazole
CID 71860987
[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780518
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
[3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120771610
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120967309) is [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is Cc1cc(CN2CCC(C)(CN)C2)on1.
What is the InChIKey of [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is LPFDZRJJBDWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-5-10(15-13-9)6-14-4-3-11(2,7-12)8-14/h5H,3-4,6-8,12H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120967309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).