[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride

C15H20Cl2N4O2 — CID 120806988

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(-c3ccccn3)no2)C1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-15(9-16)5-7-19(10-15)14(20)13-8-12(18-21-13)11-4-2-3-6-17-11;;/h2-4,6,8H,5,7,9-10,16H2,1H3;2*1H
InChIKeyFFLSIYCAVUUGEX-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.39
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride (PubChem CID 120806988) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
PubChem CID120806988
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(-c3ccccn3)no2)C1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-15(9-16)5-7-19(10-15)14(20)13-8-12(18-21-13)11-4-2-3-6-17-11;;/h2-4,6,8H,5,7,9-10,16H2,1H3;2*1H
InChIKeyFFLSIYCAVUUGEX-UHFFFAOYSA-N
XLogP2.39
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 120804819
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 120803741
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-thiazol-5-yl)methanone
CID 120803771
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 120807882
3-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119257353
(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112227
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone;dihydrochloride
CID 120806144
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120806512
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 128536760
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 120808906
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride (CID 120806988) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride is CC1(CN)CCN(C(=O)c2cc(-c3ccccn3)no2)C1.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride?
The InChIKey is FFLSIYCAVUUGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c1-15(9-16)5-7-19(10-15)14(20)13-8-12(18-21-13)11-4-2-3-6-17-11;;/h2-4,6,8H,5,7,9-10,16H2,1H3;2*1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120806988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).