5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

C13H12N4O2 — CID 154844159

IUPAC5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccn(C)n3)no2)c1
InChIInChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)12-14-13(19-16-12)9-4-3-5-10(8-9)18-2/h3-8H,1-2H3
InChIKeyRJBQLGDVBHFJGZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.15
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole

5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 154844159) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID154844159
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccn(C)n3)no2)c1
InChIInChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)12-14-13(19-16-12)9-4-3-5-10(8-9)18-2/h3-8H,1-2H3
InChIKeyRJBQLGDVBHFJGZ-UHFFFAOYSA-N
XLogP2.15
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53171748
5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53172731
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 154844159) is 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccn(C)n3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is RJBQLGDVBHFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)12-14-13(19-16-12)9-4-3-5-10(8-9)18-2/h3-8H,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154844159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).