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

C14H23ClN4O2 — CID 120861175

IUPAC4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
SMILESCC(C)(C)N1CC(c2nc(C3(N)CCC3)no2)CC1=O.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-13(2,3)18-8-9(7-10(18)19)11-16-12(17-20-11)14(15)5-4-6-14;/h9H,4-8,15H2,1-3H3;1H
InChIKeyHRMVNYROLGQCIK-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.94
Rot. Bonds2

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

4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride (PubChem CID 120861175) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
PubChem CID120861175
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride
SMILESCC(C)(C)N1CC(c2nc(C3(N)CCC3)no2)CC1=O.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-13(2,3)18-8-9(7-10(18)19)11-16-12(17-20-11)14(15)5-4-6-14;/h9H,4-8,15H2,1-3H3;1H
InChIKeyHRMVNYROLGQCIK-UHFFFAOYSA-N
XLogP1.94
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-ethylpyrrolidin-2-one
CID 120853207
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 120860230
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 120862748
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120853112
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
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
(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97454421
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride (CID 120861175) is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride is CC(C)(C)N1CC(c2nc(C3(N)CCC3)no2)CC1=O.Cl.
What is the InChIKey of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride?
The InChIKey is HRMVNYROLGQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-13(2,3)18-8-9(7-10(18)19)11-16-12(17-20-11)14(15)5-4-6-14;/h9H,4-8,15H2,1-3H3;1H.
What are the key properties of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride?
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-tert-butylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120861175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).