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

C19H16N4O — CID 53138468

IUPAC5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1
InChIInChI=1S/C19H16N4O/c1-13-6-3-4-9-16(13)19-21-18(22-24-19)15-8-5-7-14(12-15)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyRXZOPBBDTPCVMY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.11
Rot. Bonds3

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

5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138468) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138468
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1
InChIInChI=1S/C19H16N4O/c1-13-6-3-4-9-16(13)19-21-18(22-24-19)15-8-5-7-14(12-15)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyRXZOPBBDTPCVMY-UHFFFAOYSA-N
XLogP4.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138515
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59556605
5-[(4-bromophenyl)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138479
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
5-[2-(4-methylphenyl)sulfonylethyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138445
5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138468) is 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2cccc(-c3ccnn3C)c2)no1.
What is the InChIKey of 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is RXZOPBBDTPCVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-6-3-4-9-16(13)19-21-18(22-24-19)15-8-5-7-14(12-15)17-10-11-20-23(17)2/h3-12H,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).