(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C11H12Cl2N4O — CID 104901729

IUPAC(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O/c1-5(2)8(14)11-16-10(17-18-11)9-7(13)3-6(12)4-15-9/h3-5,8H,14H2,1-2H3/t8-/m1/s1
InChIKeyWKXPMPHTRWINRH-MRVPVSSYSA-N
MW287.15 g/mol
LogP3.09
Rot. Bonds3

About (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 104901729) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID104901729
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O/c1-5(2)8(14)11-16-10(17-18-11)9-7(13)3-6(12)4-15-9/h3-5,8H,14H2,1-2H3/t8-/m1/s1
InChIKeyWKXPMPHTRWINRH-MRVPVSSYSA-N
XLogP3.09
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 79780846
[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285013
(1S)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894717
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 79782947
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308050
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430637
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274008
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79786155
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 104901729) is (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is WKXPMPHTRWINRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c1-5(2)8(14)11-16-10(17-18-11)9-7(13)3-6(12)4-15-9/h3-5,8H,14H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 287.15 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 104901729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).