5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C18H15N5O — CID 27375608

IUPAC5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)c1
InChIInChI=1S/C18H15N5O/c1-11-5-6-12(2)14(8-11)15-9-16(22-21-15)18-20-17(23-24-18)13-4-3-7-19-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyAJKXFSRCSAISIF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.81
Rot. Bonds3

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

5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 27375608) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID27375608
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)c1
InChIInChI=1S/C18H15N5O/c1-11-5-6-12(2)14(8-11)15-9-16(22-21-15)18-20-17(23-24-18)13-4-3-7-19-10-13/h3-10H,1-2H3,(H,21,22)
InChIKeyAJKXFSRCSAISIF-UHFFFAOYSA-N
XLogP3.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 27375608) is 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(C)c(-c2cc(-c3nc(-c4cccnc4)no3)[nH]n2)c1.
What is the InChIKey of 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is AJKXFSRCSAISIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-5-6-12(2)14(8-11)15-9-16(22-21-15)18-20-17(23-24-18)13-4-3-7-19-10-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 27375608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).