3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride

C16H17Cl3N4O2 — CID 120864535

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)CCC1
InChIInChI=1S/C16H16Cl2N4O2.ClH/c17-11-3-2-9(8-12(11)18)22-7-4-10(14(22)23)13-20-15(21-24-13)16(19)5-1-6-16;/h2-3,8,10H,1,4-7,19H2;1H
InChIKeyXJWMDMZPDWXOSE-UHFFFAOYSA-N
MW403.70 g/mol
LogP3.66
Rot. Bonds3

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 120864535) has the molecular formula C16H17Cl3N4O2 and a molecular weight of 403.70 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride
PubChem CID120864535
Molecular FormulaC16H17Cl3N4O2
Molecular Weight403.70 g/mol
Exact Mass402.04
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)CCC1
InChIInChI=1S/C16H16Cl2N4O2.ClH/c17-11-3-2-9(8-12(11)18)22-7-4-10(14(22)23)13-20-15(21-24-13)16(19)5-1-6-16;/h2-3,8,10H,1,4-7,19H2;1H
InChIKeyXJWMDMZPDWXOSE-UHFFFAOYSA-N
XLogP3.66
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)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

1-[5-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859105
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120853662
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 120860230
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 120862748
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864773
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864774
1-[5-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858892
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride (CID 120864535) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride is Cl.NC1(c2noc(C3CCN(c4ccc(Cl)c(Cl)c4)C3=O)n2)CCC1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is XJWMDMZPDWXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2.ClH/c17-11-3-2-9(8-12(11)18)22-7-4-10(14(22)23)13-20-15(21-24-13)16(19)5-1-6-16;/h2-3,8,10H,1,4-7,19H2;1H.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 403.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120864535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).