3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C13H12N4O2 — CID 16956622

IUPAC3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C13H12N4O2/c1-8-7-11(16-15-8)13-14-12(17-19-13)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyDBACVGKFAVPFKN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.44
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 16956622) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID16956622
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C13H12N4O2/c1-8-7-11(16-15-8)13-14-12(17-19-13)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyDBACVGKFAVPFKN-UHFFFAOYSA-N
XLogP2.44
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 58538793
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 16956622) is 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is DBACVGKFAVPFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-7-11(16-15-8)13-14-12(17-19-13)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 16956622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).