5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole

C21H19N3O — CID 56730856

IUPAC5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H19N3O/c1-3-16-9-11-17(12-10-16)21-19(20-13-15(2)23-25-20)14-24(22-21)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3
InChIKeyRMGRYOJUFRZWDV-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.07
Rot. Bonds4

About 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole

5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole (PubChem CID 56730856) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
PubChem CID56730856
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H19N3O/c1-3-16-9-11-17(12-10-16)21-19(20-13-15(2)23-25-20)14-24(22-21)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3
InChIKeyRMGRYOJUFRZWDV-UHFFFAOYSA-N
XLogP5.07
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole (CID 56730856) is 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole is CCc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1.
What is the InChIKey of 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is RMGRYOJUFRZWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-16-9-11-17(12-10-16)21-19(20-13-15(2)23-25-20)14-24(22-21)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3.
What are the key properties of 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole?
5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 329.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 56730856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).