2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone

C17H15NO2 — CID 43118378

IUPAC2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C17H15NO2/c1-11-7-12(2)9-13(8-11)15(19)10-17-18-14-5-3-4-6-16(14)20-17/h3-9H,10H2,1-2H3
InChIKeyBTJXUNGLNOTXDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.87
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone (PubChem CID 43118378) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
PubChem CID43118378
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C17H15NO2/c1-11-7-12(2)9-13(8-11)15(19)10-17-18-14-5-3-4-6-16(14)20-17/h3-9H,10H2,1-2H3
InChIKeyBTJXUNGLNOTXDH-UHFFFAOYSA-N
XLogP3.87
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 81472639
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
CID 107989036
2-(1,3-benzoxazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62919555
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808
2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65099002
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
CID 20719453
2-[2-chloro-2-(3,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66460334
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone (CID 43118378) is 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)Cc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is BTJXUNGLNOTXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-12(2)9-13(8-11)15(19)10-17-18-14-5-3-4-6-16(14)20-17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 43118378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).