3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole

C19H19NO — CID 91107534

IUPAC3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole
SMILESCC=C(C=C1Oc2ccccc2N1C)c1ccccc1C
InChIInChI=1S/C19H19NO/c1-4-15(16-10-6-5-9-14(16)2)13-19-20(3)17-11-7-8-12-18(17)21-19/h4-13H,1-3H3
InChIKeyWBUZLUFGNSSCAM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.77
Rot. Bonds2

About 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole

3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole (PubChem CID 91107534) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole
PubChem CID91107534
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole
SMILESCC=C(C=C1Oc2ccccc2N1C)c1ccccc1C
InChIInChI=1S/C19H19NO/c1-4-15(16-10-6-5-9-14(16)2)13-19-20(3)17-11-7-8-12-18(17)21-19/h4-13H,1-3H3
InChIKeyWBUZLUFGNSSCAM-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole?
The IUPAC name of 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole (CID 91107534) is 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole.
What is the SMILES notation for 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole?
The canonical SMILES for 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole is CC=C(C=C1Oc2ccccc2N1C)c1ccccc1C.
What is the InChIKey of 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole?
The InChIKey is WBUZLUFGNSSCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-4-15(16-10-6-5-9-14(16)2)13-19-20(3)17-11-7-8-12-18(17)21-19/h4-13H,1-3H3.
What are the key properties of 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole?
3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole has a molecular weight of 277.37 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methylphenyl)but-2-enylidene]-1,3-benzoxazole is sourced from PubChem (CID 91107534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).