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

C11H12Cl2N4O — CID 113308050

IUPAC2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O/c1-11(2,5-14)10-16-9(17-18-10)8-7(13)3-6(12)4-15-8/h3-4H,5,14H2,1-2H3
InChIKeyOEJWPVNFEMEPLH-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.67
Rot. Bonds3

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

2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 113308050) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID113308050
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O/c1-11(2,5-14)10-16-9(17-18-10)8-7(13)3-6(12)4-15-8/h3-4H,5,14H2,1-2H3
InChIKeyOEJWPVNFEMEPLH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
2-[3-(5-Chloro-6-piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;dihydrochloride
CID 166485542
3-(5-Chloro-6-piperazin-1-yl-3-pyridinyl)-5-methyl-1,2,4-oxadiazole;hydrochloride
CID 166485559
[3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine dihydrochloride
CID 54592567
[3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008079
5-chloro-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoro-2-pyridinamine
CID 50951682
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
2-[3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]guanidine
CID 4435170
N-[1-(3,5-dichloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155744131
3-Chloro-5-(trifluoromethyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2768662
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79718309
3-[3-(5-Fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79718522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 113308050) is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)(CN)c1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is OEJWPVNFEMEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c1-11(2,5-14)10-16-9(17-18-10)8-7(13)3-6(12)4-15-8/h3-4H,5,14H2,1-2H3.
What are the key properties of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
2-[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 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 113308050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).