N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C13H23N3O — CID 55074054

IUPACN-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC1CCN(Cc2cc(CNC(C)C)no2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)14-7-12-6-13(17-15-12)9-16-5-4-11(3)8-16/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyHDMWISKKNSAFRP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.01
Rot. Bonds5

About N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55074054) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55074054
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC1CCN(Cc2cc(CNC(C)C)no2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)14-7-12-6-13(17-15-12)9-16-5-4-11(3)8-16/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyHDMWISKKNSAFRP-UHFFFAOYSA-N
XLogP2.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55074054) is N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CC1CCN(Cc2cc(CNC(C)C)no2)C1.
What is the InChIKey of N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is HDMWISKKNSAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)14-7-12-6-13(17-15-12)9-16-5-4-11(3)8-16/h6,10-11,14H,4-5,7-9H2,1-3H3.
What are the key properties of N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55074054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).