5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole

C19H21NO2 — CID 89491876

IUPAC5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)(COCc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-15-8-6-7-11-17(15)18-12-19(2,22-20-18)14-21-13-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3
InChIKeyMZDLKDQPXZIVKO-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.09
Rot. Bonds5

About 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole

5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole (PubChem CID 89491876) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole
PubChem CID89491876
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole
SMILESCc1ccccc1C1=NOC(C)(COCc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-15-8-6-7-11-17(15)18-12-19(2,22-20-18)14-21-13-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3
InChIKeyMZDLKDQPXZIVKO-UHFFFAOYSA-N
XLogP4.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole (CID 89491876) is 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole is Cc1ccccc1C1=NOC(C)(COCc2ccccc2)C1.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole?
The InChIKey is MZDLKDQPXZIVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-8-6-7-11-17(15)18-12-19(2,22-20-18)14-21-13-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole?
5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole has a molecular weight of 295.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole is sourced from PubChem (CID 89491876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).