3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole

C18H19NO — CID 24977597

IUPAC3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole
SMILESCC1=C(c2ccccc2)ON(C)C1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-17(13-15-9-5-3-6-10-15)19(2)20-18(14)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3
InChIKeyHAXHURVFBAGYHZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.91
Rot. Bonds3

About 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole

3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole (PubChem CID 24977597) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole
PubChem CID24977597
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole
SMILESCC1=C(c2ccccc2)ON(C)C1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-17(13-15-9-5-3-6-10-15)19(2)20-18(14)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3
InChIKeyHAXHURVFBAGYHZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole?
The IUPAC name of 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole (CID 24977597) is 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole?
The canonical SMILES for 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole is CC1=C(c2ccccc2)ON(C)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole?
The InChIKey is HAXHURVFBAGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-17(13-15-9-5-3-6-10-15)19(2)20-18(14)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3.
What are the key properties of 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole?
3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,4-dimethyl-5-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 24977597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).