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

C13H14Cl2N4O2 — CID 115440184

IUPAC[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCOCC1
InChIInChI=1S/C13H14Cl2N4O2/c14-8-5-9(15)10(17-6-8)11-18-12(21-19-11)13(7-16)1-3-20-4-2-13/h5-6H,1-4,7,16H2
InChIKeyXGBDFIGHTKGMPT-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.45
Rot. Bonds3

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

[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 115440184) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID115440184
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCOCC1
InChIInChI=1S/C13H14Cl2N4O2/c14-8-5-9(15)10(17-6-8)11-18-12(21-19-11)13(7-16)1-3-20-4-2-13/h5-6H,1-4,7,16H2
InChIKeyXGBDFIGHTKGMPT-UHFFFAOYSA-N
XLogP2.45
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446160
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117
[4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 82732096
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440150
1-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845881
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308050
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79783090
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445
[4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440192
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430637
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901729

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 115440184) is [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is NCC1(c2nc(-c3ncc(Cl)cc3Cl)no2)CCOCC1.
What is the InChIKey of [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is XGBDFIGHTKGMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c14-8-5-9(15)10(17-6-8)11-18-12(21-19-11)13(7-16)1-3-20-4-2-13/h5-6H,1-4,7,16H2.
What are the key properties of [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 329.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 115440184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).