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

C17H22Cl3N3O2 — CID 119550447

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H20ClN3O2.2ClH/c1-21(12-8-9-19-10-12)17(22)7-6-16-20-11-15(23-16)13-4-2-3-5-14(13)18;;/h2-5,11-12,19H,6-10H2,1H3;2*1H
InChIKeyMWXJQBYUHMJJLJ-UHFFFAOYSA-N
MW406.74 g/mol
LogP3.59
Rot. Bonds5

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 119550447) has the molecular formula C17H22Cl3N3O2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID119550447
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.74 g/mol
Exact Mass405.08
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H20ClN3O2.2ClH/c1-21(12-8-9-19-10-12)17(22)7-6-16-20-11-15(23-16)13-4-2-3-5-14(13)18;;/h2-5,11-12,19H,6-10H2,1H3;2*1H
InChIKeyMWXJQBYUHMJJLJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442297
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134020373
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 24611213
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18161298
N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 119550447) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CCNC1.Cl.Cl.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is MWXJQBYUHMJJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.2ClH/c1-21(12-8-9-19-10-12)17(22)7-6-16-20-11-15(23-16)13-4-2-3-5-14(13)18;;/h2-5,11-12,19H,6-10H2,1H3;2*1H.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 406.74 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119550447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).