1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one

C14H17BrN4O2 — CID 120852283

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
SMILESNC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCCC1
InChIInChI=1S/C14H17BrN4O2/c15-10-3-4-12(20)19(9-10)8-5-11-17-13(18-21-11)14(16)6-1-2-7-14/h3-4,9H,1-2,5-8,16H2
InChIKeyRBIGORCNEVZMOM-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one (PubChem CID 120852283) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
PubChem CID120852283
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
SMILESNC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCCC1
InChIInChI=1S/C14H17BrN4O2/c15-10-3-4-12(20)19(9-10)8-5-11-17-13(18-21-11)14(16)6-1-2-7-14/h3-4,9H,1-2,5-8,16H2
InChIKeyRBIGORCNEVZMOM-UHFFFAOYSA-N
XLogP1.96
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
CID 120860401
1-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromopyridin-2-one;hydrochloride
CID 120860417
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-nitropyridin-2-one
CID 120857146
1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851688
5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
CID 86777841
1-[5-[2-(5-bromo-1,3-benzothiazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850863
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
CID 120853244
1-[5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856659
1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857482

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one (CID 120852283) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one is NC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCCC1.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one?
The InChIKey is RBIGORCNEVZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c15-10-3-4-12(20)19(9-10)8-5-11-17-13(18-21-11)14(16)6-1-2-7-14/h3-4,9H,1-2,5-8,16H2.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one has a molecular weight of 353.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one is sourced from PubChem (CID 120852283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).