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

C18H14N4O2 — CID 42585243

IUPAC3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1
InChIInChI=1S/C18H14N4O2/c1-23-14-9-7-13(8-10-14)17-19-18(24-22-17)16-11-15(20-21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyNKMDFGAVKRPNDH-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.80
Rot. Bonds4

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

3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 42585243) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID42585243
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1
InChIInChI=1S/C18H14N4O2/c1-23-14-9-7-13(8-10-14)17-19-18(24-22-17)16-11-15(20-21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyNKMDFGAVKRPNDH-UHFFFAOYSA-N
XLogP3.80
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 42585243) is 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NKMDFGAVKRPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-23-14-9-7-13(8-10-14)17-19-18(24-22-17)16-11-15(20-21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 318.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).