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

C17H14N4OS — CID 53138439

IUPAC3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccsc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1
InChIInChI=1S/C17H14N4OS/c1-11-7-9-23-15(11)17-19-16(20-22-17)13-5-3-4-12(10-13)14-6-8-18-21(14)2/h3-10H,1-2H3
InChIKeyUATLTDNBXSKTRE-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.17
Rot. Bonds3

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

3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 53138439) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID53138439
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccsc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1
InChIInChI=1S/C17H14N4OS/c1-11-7-9-23-15(11)17-19-16(20-22-17)13-5-3-4-12(10-13)14-6-8-18-21(14)2/h3-10H,1-2H3
InChIKeyUATLTDNBXSKTRE-UHFFFAOYSA-N
XLogP4.17
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 53138439) is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole is Cc1ccsc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1.
What is the InChIKey of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is UATLTDNBXSKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-7-9-23-15(11)17-19-16(20-22-17)13-5-3-4-12(10-13)14-6-8-18-21(14)2/h3-10H,1-2H3.
What are the key properties of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53138439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).