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

C20H18N4O2 — CID 53138511

IUPAC5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-6-8-17(9-7-14)25-13-19-22-20(23-26-19)16-5-3-4-15(12-16)18-10-11-21-24(18)2/h3-12H,13H2,1-2H3
InChIKeyXRBFNYFTSSGQSZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.02
Rot. Bonds5

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

5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138511) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138511
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1
InChIInChI=1S/C20H18N4O2/c1-14-6-8-17(9-7-14)25-13-19-22-20(23-26-19)16-5-3-4-15(12-16)18-10-11-21-24(18)2/h3-12H,13H2,1-2H3
InChIKeyXRBFNYFTSSGQSZ-UHFFFAOYSA-N
XLogP4.02
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138511) is 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cc1ccc(OCc2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is XRBFNYFTSSGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-6-8-17(9-7-14)25-13-19-22-20(23-26-19)16-5-3-4-15(12-16)18-10-11-21-24(18)2/h3-12H,13H2,1-2H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).