3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

C23H18N4O3 — CID 16956456

IUPAC3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1OC
InChIInChI=1S/C23H18N4O3/c1-28-20-10-9-17(12-21(20)29-2)22-24-23(30-27-22)19-13-18(25-26-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,25,26)
InChIKeyZYYGWQPOXJTTSB-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.96
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 16956456) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID16956456
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1OC
InChIInChI=1S/C23H18N4O3/c1-28-20-10-9-17(12-21(20)29-2)22-24-23(30-27-22)19-13-18(25-26-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,25,26)
InChIKeyZYYGWQPOXJTTSB-UHFFFAOYSA-N
XLogP4.96
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
1-[5-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856501
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42585033
3-(2,3-dimethoxyphenyl)-5-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022147
3-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
3-(3,4-dimethoxyphenyl)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6021427
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 16956456) is 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is ZYYGWQPOXJTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-28-20-10-9-17(12-21(20)29-2)22-24-23(30-27-22)19-13-18(25-26-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 398.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 16956456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).