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

C13H16BrClN4O2 — CID 120860401

IUPAC1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
SMILESCl.NC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCC1
InChIInChI=1S/C13H15BrN4O2.ClH/c14-9-2-3-11(19)18(8-9)7-4-10-16-12(17-20-10)13(15)5-1-6-13;/h2-3,8H,1,4-7,15H2;1H
InChIKeyMNSIWKUHEDPCQH-UHFFFAOYSA-N
MW375.65 g/mol
LogP2.00
Rot. Bonds4

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

1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride (PubChem CID 120860401) has the molecular formula C13H16BrClN4O2 and a molecular weight of 375.65 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
PubChem CID120860401
Molecular FormulaC13H16BrClN4O2
Molecular Weight375.65 g/mol
Exact Mass374.01
IUPAC Name1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
SMILESCl.NC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCC1
InChIInChI=1S/C13H15BrN4O2.ClH/c14-9-2-3-11(19)18(8-9)7-4-10-16-12(17-20-10)13(15)5-1-6-13;/h2-3,8H,1,4-7,15H2;1H
InChIKeyMNSIWKUHEDPCQH-UHFFFAOYSA-N
XLogP2.00
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
CID 120852283
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-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862931
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
CID 86777841
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
4-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120858873
1-[5-[2-(2-bromophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858853
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-nitropyridin-2-one
CID 120857146
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
CID 120853244

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride?
The IUPAC name of 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride (CID 120860401) is 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride is Cl.NC1(c2noc(CCn3cc(Br)ccc3=O)n2)CCC1.
What is the InChIKey of 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride?
The InChIKey is MNSIWKUHEDPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2.ClH/c14-9-2-3-11(19)18(8-9)7-4-10-16-12(17-20-10)13(15)5-1-6-13;/h2-3,8H,1,4-7,15H2;1H.
What are the key properties of 1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride?
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride has a molecular weight of 375.65 g/mol, XLogP of 2.00, 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-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride is sourced from PubChem (CID 120860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).