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

C19H16N4O2 — CID 53010067

IUPAC3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)c1
InChIInChI=1S/C19H16N4O2/c1-13-4-3-5-16(12-13)24-15-8-6-14(7-9-15)18-21-19(25-22-18)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyCSMGKOSNJUPXFR-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.24
Rot. Bonds4

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

3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 53010067) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID53010067
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)c1
InChIInChI=1S/C19H16N4O2/c1-13-4-3-5-16(12-13)24-15-8-6-14(7-9-15)18-21-19(25-22-18)17-10-11-20-23(17)2/h3-12H,1-2H3
InChIKeyCSMGKOSNJUPXFR-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-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 53010067) is 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cc1cccc(Oc2ccc(-c3noc(-c4ccnn4C)n3)cc2)c1.
What is the InChIKey of 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is CSMGKOSNJUPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-4-3-5-16(12-13)24-15-8-6-14(7-9-15)18-21-19(25-22-18)17-10-11-20-23(17)2/h3-12H,1-2H3.
What are the key properties of 3-[4-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
3-[4-(3-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-(3-methylphenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53010067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).