(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride

C17H21Cl3N4O2 — CID 120865752

IUPAC(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1.Cl
InChIInChI=1S/C17H20Cl2N4O2.ClH/c1-10(20-2)8-15-21-16(25-22-15)14-4-3-7-23(14)17(24)12-9-11(18)5-6-13(12)19;/h5-6,9-10,14,20H,3-4,7-8H2,1-2H3;1H
InChIKeyCZYMQGWNYRFJIR-UHFFFAOYSA-N
MW419.74 g/mol
LogP3.93
Rot. Bonds5

About (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride

(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120865752) has the molecular formula C17H21Cl3N4O2 and a molecular weight of 419.74 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120865752
Molecular FormulaC17H21Cl3N4O2
Molecular Weight419.74 g/mol
Exact Mass418.07
IUPAC Name(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC(C)Cc1noc(C2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1.Cl
InChIInChI=1S/C17H20Cl2N4O2.ClH/c1-10(20-2)8-15-21-16(25-22-15)14-4-3-7-23(14)17(24)12-9-11(18)5-6-13(12)19;/h5-6,9-10,14,20H,3-4,7-8H2,1-2H3;1H
InChIKeyCZYMQGWNYRFJIR-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 120866033
[2-(difluoromethoxy)phenyl]-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 120865046
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 120865283
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
(5-chloro-2-fluorophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 91916619
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
(2-chloro-5-fluorophenyl)-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91906352

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride (CID 120865752) is (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride is CNC(C)Cc1noc(C2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1.Cl.
What is the InChIKey of (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is CZYMQGWNYRFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2.ClH/c1-10(20-2)8-15-21-16(25-22-15)14-4-3-7-23(14)17(24)12-9-11(18)5-6-13(12)19;/h5-6,9-10,14,20H,3-4,7-8H2,1-2H3;1H.
What are the key properties of (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride?
(2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 419.74 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120865752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).