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

C9H15N3O — CID 82408303

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(C2NCCC2CN)no1
InChIInChI=1S/C9H15N3O/c1-6-4-8(12-13-6)9-7(5-10)2-3-11-9/h4,7,9,11H,2-3,5,10H2,1H3
InChIKeyRCWNTBJHYHAVLA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.59
Rot. Bonds2

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

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 82408303) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID82408303
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(C2NCCC2CN)no1
InChIInChI=1S/C9H15N3O/c1-6-4-8(12-13-6)9-7(5-10)2-3-11-9/h4,7,9,11H,2-3,5,10H2,1H3
InChIKeyRCWNTBJHYHAVLA-UHFFFAOYSA-N
XLogP0.59
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine (CID 82408303) is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine is Cc1cc(C2NCCC2CN)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is RCWNTBJHYHAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-8(12-13-6)9-7(5-10)2-3-11-9/h4,7,9,11H,2-3,5,10H2,1H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine?
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82408303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).