5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

C16H13N5OS — CID 53112534

IUPAC5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccnn4C)n3)cc2)cs1
InChIInChI=1S/C16H13N5OS/c1-10-18-13(9-23-10)11-3-5-12(6-4-11)15-19-16(22-20-15)14-7-8-17-21(14)2/h3-9H,1-2H3
InChIKeyUWULTQULDCWPIF-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.57
Rot. Bonds3

About 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53112534) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53112534
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3noc(-c4ccnn4C)n3)cc2)cs1
InChIInChI=1S/C16H13N5OS/c1-10-18-13(9-23-10)11-3-5-12(6-4-11)15-19-16(22-20-15)14-7-8-17-21(14)2/h3-9H,1-2H3
InChIKeyUWULTQULDCWPIF-UHFFFAOYSA-N
XLogP3.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53112534) is 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3noc(-c4ccnn4C)n3)cc2)cs1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is UWULTQULDCWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-10-18-13(9-23-10)11-3-5-12(6-4-11)15-19-16(22-20-15)14-7-8-17-21(14)2/h3-9H,1-2H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 323.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53112534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).