1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride

C19H26ClN5O3 — CID 120956697

IUPAC1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-12-4-5-16(26-3)14(8-12)24-11-13(9-17(24)25)19-21-18(22-27-19)15-10-20-6-7-23(15)2;/h4-5,8,13,15,20H,6-7,9-11H2,1-3H3;1H
InChIKeyLWXGREGYLXMNJK-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride

1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 120956697) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
PubChem CID120956697
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(C)cc1N1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-12-4-5-16(26-3)14(8-12)24-11-13(9-17(24)25)19-21-18(22-27-19)15-10-20-6-7-23(15)2;/h4-5,8,13,15,20H,6-7,9-11H2,1-3H3;1H
InChIKeyLWXGREGYLXMNJK-UHFFFAOYSA-N
XLogP1.91
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 120958198
5-(3-fluoro-4-methoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959542
5-[(5-bromo-2-methoxyphenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958081
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120959398
3-(1-methylpiperazin-2-yl)-5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120959020
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
(4R)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 93492799
1-(3,4-difluorophenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120957146
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119446786
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one;hydrochloride
CID 120959178
(4S)-1-(2,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42585896
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (CID 120956697) is 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is COc1ccc(C)cc1N1CC(c2nc(C3CNCCN3C)no2)CC1=O.Cl.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is LWXGREGYLXMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.ClH/c1-12-4-5-16(26-3)14(8-12)24-11-13(9-17(24)25)19-21-18(22-27-19)15-10-20-6-7-23(15)2;/h4-5,8,13,15,20H,6-7,9-11H2,1-3H3;1H.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120956697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).