3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

C19H26Cl3N3O2 — CID 126773837

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-2-11-23(16-9-10-21-12-16)19(24)8-7-18-22-13-17(25-18)14-3-5-15(20)6-4-14;;/h3-6,13,16,21H,2,7-12H2,1H3;2*1H
InChIKeyZOHQTMCWCSEUCA-UHFFFAOYSA-N
MW434.80 g/mol
LogP4.37
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 126773837) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID126773837
Molecular FormulaC19H26Cl3N3O2
Molecular Weight434.80 g/mol
Exact Mass433.11
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-2-11-23(16-9-10-21-12-16)19(24)8-7-18-22-13-17(25-18)14-3-5-15(20)6-4-14;;/h3-6,13,16,21H,2,7-12H2,1H3;2*1H
InChIKeyZOHQTMCWCSEUCA-UHFFFAOYSA-N
XLogP4.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823979
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120657241
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531240

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 126773837) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CCCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCNC1.Cl.Cl.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is ZOHQTMCWCSEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.2ClH/c1-2-11-23(16-9-10-21-12-16)19(24)8-7-18-22-13-17(25-18)14-3-5-15(20)6-4-14;;/h3-6,13,16,21H,2,7-12H2,1H3;2*1H.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 126773837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).