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

C14H14ClN5O2 — CID 120862809

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cnc4ccccn4c3=O)n2)CCC1
InChIInChI=1S/C14H13N5O2.ClH/c15-14(5-3-6-14)13-17-11(21-18-13)9-8-16-10-4-1-2-7-19(10)12(9)20;/h1-2,4,7-8H,3,5-6,15H2;1H
InChIKeyLYVWRURJUACRDY-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.50
Rot. Bonds2

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

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 120862809) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID120862809
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.NC1(c2noc(-c3cnc4ccccn4c3=O)n2)CCC1
InChIInChI=1S/C14H13N5O2.ClH/c15-14(5-3-6-14)13-17-11(21-18-13)9-8-16-10-4-1-2-7-19(10)12(9)20;/h1-2,4,7-8H,3,5-6,15H2;1H
InChIKeyLYVWRURJUACRDY-UHFFFAOYSA-N
XLogP1.50
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(5-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
CID 120864086
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-(5-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 120856663
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 71741640
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861287
1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852333
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
CID 120861217

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 120862809) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.NC1(c2noc(-c3cnc4ccccn4c3=O)n2)CCC1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is LYVWRURJUACRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2.ClH/c15-14(5-3-6-14)13-17-11(21-18-13)9-8-16-10-4-1-2-7-19(10)12(9)20;/h1-2,4,7-8H,3,5-6,15H2;1H.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 319.75 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 120862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).