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

C15H20Cl3N3O — CID 119922875

IUPACN-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C15H18ClN3O.2ClH/c1-19(13-5-6-17-8-13)10-15-18-9-14(20-15)11-3-2-4-12(16)7-11;;/h2-4,7,9,13,17H,5-6,8,10H2,1H3;2*1H
InChIKeyNVLNLSAKPYMELH-UHFFFAOYSA-N
MW364.70 g/mol
LogP3.63
Rot. Bonds4

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

N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 119922875) has the molecular formula C15H20Cl3N3O and a molecular weight of 364.70 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID119922875
Molecular FormulaC15H20Cl3N3O
Molecular Weight364.70 g/mol
Exact Mass363.07
IUPAC NameN-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C15H18ClN3O.2ClH/c1-19(13-5-6-17-8-13)10-15-18-9-14(20-15)11-3-2-4-12(16)7-11;;/h2-4,7,9,13,17H,5-6,8,10H2,1H3;2*1H
InChIKeyNVLNLSAKPYMELH-UHFFFAOYSA-N
XLogP3.63
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
5-(3-chlorophenyl)-N-pyrrolidin-3-yl-1,3-oxazole-2-carboxamide
CID 168909393
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 60696759
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine
CID 75377114
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride (CID 119922875) is N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride is CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is NVLNLSAKPYMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.2ClH/c1-19(13-5-6-17-8-13)10-15-18-9-14(20-15)11-3-2-4-12(16)7-11;;/h2-4,7,9,13,17H,5-6,8,10H2,1H3;2*1H.
What are the key properties of N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride?
N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 364.70 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119922875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).