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

C18H25ClN4O2 — CID 120868561

IUPAC1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-4-13-5-7-15(8-6-13)22-11-14(10-17(22)23)18-20-16(21-24-18)9-12(2)19-3;/h5-8,12,14,19H,4,9-11H2,1-3H3;1H
InChIKeyZCKVUEABWQVWKE-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.72
Rot. Bonds6

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

1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (PubChem CID 120868561) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
PubChem CID120868561
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-4-13-5-7-15(8-6-13)22-11-14(10-17(22)23)18-20-16(21-24-18)9-12(2)19-3;/h5-8,12,14,19H,4,9-11H2,1-3H3;1H
InChIKeyZCKVUEABWQVWKE-UHFFFAOYSA-N
XLogP2.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride 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

4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120868130
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120892896
1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16956006
(4R)-1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41455288
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 53083530
1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 166233781
(4S)-4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 95072037
4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 53083529
(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97454970

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride (CID 120868561) is 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is CCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
The InChIKey is ZCKVUEABWQVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-4-13-5-7-15(8-6-13)22-11-14(10-17(22)23)18-20-16(21-24-18)9-12(2)19-3;/h5-8,12,14,19H,4,9-11H2,1-3H3;1H.
What are the key properties of 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride?
1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).