5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

C20H17N5O2 — CID 141393896

IUPAC5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCc1ccc(C)c(Oc2cnc(N)c(-c3nnc(-c4cccnc4)o3)c2)c1
InChIInChI=1S/C20H17N5O2/c1-12-5-6-13(2)17(8-12)26-15-9-16(18(21)23-11-15)20-25-24-19(27-20)14-4-3-7-22-10-14/h3-11H,1-2H3,(H2,21,23)
InChIKeyXFEQSJCDXWXEGW-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.18
Rot. Bonds4

About 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 141393896) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID141393896
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCc1ccc(C)c(Oc2cnc(N)c(-c3nnc(-c4cccnc4)o3)c2)c1
InChIInChI=1S/C20H17N5O2/c1-12-5-6-13(2)17(8-12)26-15-9-16(18(21)23-11-15)20-25-24-19(27-20)14-4-3-7-22-10-14/h3-11H,1-2H3,(H2,21,23)
InChIKeyXFEQSJCDXWXEGW-UHFFFAOYSA-N
XLogP4.18
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine with MolForge

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Related Compounds

5-phenoxy-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 141393894
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 99962927
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 653798
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 655421
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
CID 71212910
N-methyl-2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 14244613
[4-methyl-2-[5-[5-methyl-2-(pyridine-3-carbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl] pyridine-3-carboxylate
CID 139061548
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 141393896) is 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is Cc1ccc(C)c(Oc2cnc(N)c(-c3nnc(-c4cccnc4)o3)c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is XFEQSJCDXWXEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-5-6-13(2)17(8-12)26-15-9-16(18(21)23-11-15)20-25-24-19(27-20)14-4-3-7-22-10-14/h3-11H,1-2H3,(H2,21,23).
What are the key properties of 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 141393896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).