2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole

C18H15N5O2 — CID 53153742

IUPAC2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)c1
InChIInChI=1S/C18H15N5O2/c1-11-7-12(2)9-13(8-11)18-22-21-16(24-18)10-15-20-17(23-25-15)14-5-3-4-6-19-14/h3-9H,10H2,1-2H3
InChIKeyGSGDAJWVJGIMOW-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.39
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole

2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53153742) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID53153742
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)c1
InChIInChI=1S/C18H15N5O2/c1-11-7-12(2)9-13(8-11)18-22-21-16(24-18)10-15-20-17(23-25-15)14-5-3-4-6-19-14/h3-9H,10H2,1-2H3
InChIKeyGSGDAJWVJGIMOW-UHFFFAOYSA-N
XLogP3.39
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (CID 53153742) is 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is GSGDAJWVJGIMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-7-12(2)9-13(8-11)18-22-21-16(24-18)10-15-20-17(23-25-15)14-5-3-4-6-19-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).