5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole

C18H19NO — CID 46888698

IUPAC5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC(CCc2ccccc2)=NO1
InChIInChI=1S/C18H19NO/c1-18(16-10-6-3-7-11-16)14-17(19-20-18)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyVNXPGUGQXFYHAW-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.31
Rot. Bonds4

About 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole

5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole (PubChem CID 46888698) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole
PubChem CID46888698
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole
SMILESCC1(c2ccccc2)CC(CCc2ccccc2)=NO1
InChIInChI=1S/C18H19NO/c1-18(16-10-6-3-7-11-16)14-17(19-20-18)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyVNXPGUGQXFYHAW-UHFFFAOYSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole (CID 46888698) is 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole is CC1(c2ccccc2)CC(CCc2ccccc2)=NO1.
What is the InChIKey of 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole?
The InChIKey is VNXPGUGQXFYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(16-10-6-3-7-11-16)14-17(19-20-18)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole?
5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-3-(2-phenylethyl)-4H-1,2-oxazole is sourced from PubChem (CID 46888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).