[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

C12H12Cl2N4O — CID 115446160

IUPAC[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCC1
InChIInChI=1S/C12H12Cl2N4O/c13-7-4-8(14)9(16-5-7)10-17-11(19-18-10)12(6-15)2-1-3-12/h4-5H,1-3,6,15H2
InChIKeyOYSAHVVWAJEWBO-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.82
Rot. Bonds3

About [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 115446160) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID115446160
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCC1
InChIInChI=1S/C12H12Cl2N4O/c13-7-4-8(14)9(16-5-7)10-17-11(19-18-10)12(6-15)2-1-3-12/h4-5H,1-3,6,15H2
InChIKeyOYSAHVVWAJEWBO-UHFFFAOYSA-N
XLogP2.82
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440184
1-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845881
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79783090
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308050
[1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446099
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 107501925
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430637
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 115446160) is [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is NCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCC1.
What is the InChIKey of [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is OYSAHVVWAJEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-7-4-8(14)9(16-5-7)10-17-11(19-18-10)12(6-15)2-1-3-12/h4-5H,1-3,6,15H2.
What are the key properties of [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 299.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 115446160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).