[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine

C9H15N3O — CID 115082061

IUPAC[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESCN1CCC(c2nc(CN)co2)C1
InChIInChI=1S/C9H15N3O/c1-12-3-2-7(5-12)9-11-8(4-10)6-13-9/h6-7H,2-5,10H2,1H3
InChIKeyJNOBVQHCBMDLOS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.55
Rot. Bonds2

About [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine

[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115082061) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID115082061
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESCN1CCC(c2nc(CN)co2)C1
InChIInChI=1S/C9H15N3O/c1-12-3-2-7(5-12)9-11-8(4-10)6-13-9/h6-7H,2-5,10H2,1H3
InChIKeyJNOBVQHCBMDLOS-UHFFFAOYSA-N
XLogP0.55
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine (CID 115082061) is [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine is CN1CCC(c2nc(CN)co2)C1.
What is the InChIKey of [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is JNOBVQHCBMDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-3-2-7(5-12)9-11-8(4-10)6-13-9/h6-7H,2-5,10H2,1H3.
What are the key properties of [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine?
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115082061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).