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

C17H21ClN4O2 — CID 120852057

IUPAC1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc(N4CCCC4=O)cc3)n2)CCCC1
InChIInChI=1S/C17H20N4O2.ClH/c18-17(9-1-2-10-17)16-19-15(23-20-16)12-5-7-13(8-6-12)21-11-3-4-14(21)22;/h5-8H,1-4,9-11,18H2;1H
InChIKeySELHFYYDXOCEES-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.01
Rot. Bonds3

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

1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120852057) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
PubChem CID120852057
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc(N4CCCC4=O)cc3)n2)CCCC1
InChIInChI=1S/C17H20N4O2.ClH/c18-17(9-1-2-10-17)16-19-15(23-20-16)12-5-7-13(8-6-12)21-11-3-4-14(21)22;/h5-8H,1-4,9-11,18H2;1H
InChIKeySELHFYYDXOCEES-UHFFFAOYSA-N
XLogP3.01
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120861694
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851007
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 167832242
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride (CID 120852057) is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride is Cl.NC1(c2noc(-c3ccc(N4CCCC4=O)cc3)n2)CCCC1.
What is the InChIKey of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is SELHFYYDXOCEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c18-17(9-1-2-10-17)16-19-15(23-20-16)12-5-7-13(8-6-12)21-11-3-4-14(21)22;/h5-8H,1-4,9-11,18H2;1H.
What are the key properties of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120852057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).