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

C20H18N4O3 — CID 53138515

IUPAC5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-24-16(9-10-21-24)13-5-4-6-14(11-13)19-22-20(27-23-19)15-7-8-17(25-2)18(12-15)26-3/h4-12H,1-3H3
InChIKeyBVGWIGUVHGKYPP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.82
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138515) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138515
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-24-16(9-10-21-24)13-5-4-6-14(11-13)19-22-20(27-23-19)15-7-8-17(25-2)18(12-15)26-3/h4-12H,1-3H3
InChIKeyBVGWIGUVHGKYPP-UHFFFAOYSA-N
XLogP3.82
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
5-(3,4-dimethoxyphenyl)-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172650

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138515) is 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BVGWIGUVHGKYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24-16(9-10-21-24)13-5-4-6-14(11-13)19-22-20(27-23-19)15-7-8-17(25-2)18(12-15)26-3/h4-12H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 362.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).