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

C19H25ClN4O2 — CID 120856245

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC1(c2noc(C3CCCN3C(=O)Cc3ccccc3)n2)CCCC1
InChIInChI=1S/C19H24N4O2.ClH/c20-19(10-4-5-11-19)18-21-17(25-22-18)15-9-6-12-23(15)16(24)13-14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,20H2;1H
InChIKeyQQMJMKPAUXJJQO-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.13
Rot. Bonds4

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

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 120856245) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID120856245
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC1(c2noc(C3CCCN3C(=O)Cc3ccccc3)n2)CCCC1
InChIInChI=1S/C19H24N4O2.ClH/c20-19(10-4-5-11-19)18-21-17(25-22-18)15-9-6-12-23(15)16(24)13-14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,20H2;1H
InChIKeyQQMJMKPAUXJJQO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 120863736
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 120856196
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120852449
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
1-[(2R)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 125127100
[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (CID 120856245) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NC1(c2noc(C3CCCN3C(=O)Cc3ccccc3)n2)CCCC1.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is QQMJMKPAUXJJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c20-19(10-4-5-11-19)18-21-17(25-22-18)15-9-6-12-23(15)16(24)13-14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,20H2;1H.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 120856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).