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

C19H25ClN4O2 — CID 120857461

IUPAC5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
SMILESCc1ccc(CN2C(=O)CCC2c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-4-6-14(7-5-13)12-23-15(8-9-16(23)24)17-21-18(22-25-17)19(20)10-2-3-11-19;/h4-7,15H,2-3,8-12,20H2,1H3;1H
InChIKeyZUIAFVFIOYFAQO-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.39
Rot. Bonds4

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

5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120857461) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
PubChem CID120857461
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
SMILESCc1ccc(CN2C(=O)CCC2c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-4-6-14(7-5-13)12-23-15(8-9-16(23)24)17-21-18(22-25-17)19(20)10-2-3-11-19;/h4-7,15H,2-3,8-12,20H2,1H3;1H
InChIKeyZUIAFVFIOYFAQO-UHFFFAOYSA-N
XLogP3.39
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861773
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 120860230
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120856245
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 120856196
1-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862177
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride (CID 120857461) is 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride is Cc1ccc(CN2C(=O)CCC2c2nc(C3(N)CCCC3)no2)cc1.Cl.
What is the InChIKey of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is ZUIAFVFIOYFAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-13-4-6-14(7-5-13)12-23-15(8-9-16(23)24)17-21-18(22-25-17)19(20)10-2-3-11-19;/h4-7,15H,2-3,8-12,20H2,1H3;1H.
What are the key properties of 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride?
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120857461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).