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

C19H16N4O2 — CID 53010066

IUPAC3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)cc1
InChIInChI=1S/C19H16N4O2/c1-13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)18-21-19(25-22-18)17-11-12-20-23(17)2/h3-12H,1-2H3
InChIKeyYGTSKLQYEQTKKW-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.24
Rot. Bonds4

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

3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 53010066) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID53010066
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)cc1
InChIInChI=1S/C19H16N4O2/c1-13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)18-21-19(25-22-18)17-11-12-20-23(17)2/h3-12H,1-2H3
InChIKeyYGTSKLQYEQTKKW-UHFFFAOYSA-N
XLogP4.24
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 53010066) is 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cc1ccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is YGTSKLQYEQTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)18-21-19(25-22-18)17-11-12-20-23(17)2/h3-12H,1-2H3.
What are the key properties of 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).