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

C21H19N3O — CID 56662481

IUPAC2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(Cn3cc(-c4ccccc4)c(C)n3)co2)c1
InChIInChI=1S/C21H19N3O/c1-15-7-6-10-18(11-15)21-22-19(14-25-21)12-24-13-20(16(2)23-24)17-8-4-3-5-9-17/h3-11,13-14H,12H2,1-2H3
InChIKeyPIRUPIDEDLZGBV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.87
Rot. Bonds4

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

2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56662481) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
PubChem CID56662481
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCc1cccc(-c2nc(Cn3cc(-c4ccccc4)c(C)n3)co2)c1
InChIInChI=1S/C21H19N3O/c1-15-7-6-10-18(11-15)21-22-19(14-25-21)12-24-13-20(16(2)23-24)17-8-4-3-5-9-17/h3-11,13-14H,12H2,1-2H3
InChIKeyPIRUPIDEDLZGBV-UHFFFAOYSA-N
XLogP4.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole (CID 56662481) is 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole is Cc1cccc(-c2nc(Cn3cc(-c4ccccc4)c(C)n3)co2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is PIRUPIDEDLZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-7-6-10-18(11-15)21-22-19(14-25-21)12-24-13-20(16(2)23-24)17-8-4-3-5-9-17/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole?
2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 329.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56662481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).