1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride

C20H28ClN3O3 — CID 120807002

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-18(15(2)26-22-14)11-25-17-6-4-16(5-7-17)10-19(24)23-9-8-20(3,12-21)13-23;/h4-7H,8-13,21H2,1-3H3;1H
InChIKeyYNFGZIVLBQWVEC-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.03
Rot. Bonds6

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride (PubChem CID 120807002) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride
PubChem CID120807002
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride
SMILESCc1noc(C)c1COc1ccc(CC(=O)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-18(15(2)26-22-14)11-25-17-6-4-16(5-7-17)10-19(24)23-9-8-20(3,12-21)13-23;/h4-7H,8-13,21H2,1-3H3;1H
InChIKeyYNFGZIVLBQWVEC-UHFFFAOYSA-N
XLogP3.03
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride 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

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314
(3R)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
CID 9292651
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771162
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112806366
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 119259954
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-(3-methylmorpholin-4-yl)ethanone
CID 56811981
(3R,4R)-4-cyclopropyl-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978048
N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119260778
(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone;hydrochloride
CID 120806090

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride (CID 120807002) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride is Cc1noc(C)c1COc1ccc(CC(=O)N2CCC(C)(CN)C2)cc1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride?
The InChIKey is YNFGZIVLBQWVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-14-18(15(2)26-22-14)11-25-17-6-4-16(5-7-17)10-19(24)23-9-8-20(3,12-21)13-23;/h4-7H,8-13,21H2,1-3H3;1H.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 120807002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).