[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C16H21BrClN3O — CID 120773467

IUPAC[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-16(10-18)6-7-20(11-16)8-14-9-21-15(19-14)12-2-4-13(17)5-3-12;/h2-5,9H,6-8,10-11,18H2,1H3;1H
InChIKeyIRLWCORLFYIJPL-UHFFFAOYSA-N
MW386.72 g/mol
LogP3.70
Rot. Bonds4

About [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120773467) has the molecular formula C16H21BrClN3O and a molecular weight of 386.72 g/mol. Its IUPAC name is [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120773467
Molecular FormulaC16H21BrClN3O
Molecular Weight386.72 g/mol
Exact Mass385.06
IUPAC Name[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-16(10-18)6-7-20(11-16)8-14-9-21-15(19-14)12-2-4-13(17)5-3-12;/h2-5,9H,6-8,10-11,18H2,1H3;1H
InChIKeyIRLWCORLFYIJPL-UHFFFAOYSA-N
XLogP3.70
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;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-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771767
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773064
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772351
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781006
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120773467) is [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1.Cl.
What is the InChIKey of [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is IRLWCORLFYIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O.ClH/c1-16(10-18)6-7-20(11-16)8-14-9-21-15(19-14)12-2-4-13(17)5-3-12;/h2-5,9H,6-8,10-11,18H2,1H3;1H.
What are the key properties of [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 386.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120773467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).