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

C12H15ClN4O2 — CID 120861217

IUPAC4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(-c2nc(C3(N)CCC3)no2)cc1=O
InChIInChI=1S/C12H14N4O2.ClH/c1-16-6-3-8(7-9(16)17)10-14-11(15-18-10)12(13)4-2-5-12;/h3,6-7H,2,4-5,13H2,1H3;1H
InChIKeyKNMWKRZSFVQUSA-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.20
Rot. Bonds2

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

4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride (PubChem CID 120861217) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
PubChem CID120861217
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(-c2nc(C3(N)CCC3)no2)cc1=O
InChIInChI=1S/C12H14N4O2.ClH/c1-16-6-3-8(7-9(16)17)10-14-11(15-18-10)12(13)4-2-5-12;/h3,6-7H,2,4-5,13H2,1H3;1H
InChIKeyKNMWKRZSFVQUSA-UHFFFAOYSA-N
XLogP1.20
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
CID 71924986
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860738
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350
7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 120861604
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride (CID 120861217) is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride is Cl.Cn1ccc(-c2nc(C3(N)CCC3)no2)cc1=O.
What is the InChIKey of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride?
The InChIKey is KNMWKRZSFVQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.ClH/c1-16-6-3-8(7-9(16)17)10-14-11(15-18-10)12(13)4-2-5-12;/h3,6-7H,2,4-5,13H2,1H3;1H.
What are the key properties of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride?
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 120861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).