ethane;5-methyl-1,2-oxazole;toluene

C15H25NO — CID 91354151

IUPACethane;5-methyl-1,2-oxazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccno1
InChIInChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-5-6-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyWMTCOQAZAUTQBI-UHFFFAOYSA-N
MW235.37 g/mol
LogP5.03
Rot. Bonds

About ethane;5-methyl-1,2-oxazole;toluene

ethane;5-methyl-1,2-oxazole;toluene (PubChem CID 91354151) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;5-methyl-1,2-oxazole;toluene.

Molecular Properties

Compound Nameethane;5-methyl-1,2-oxazole;toluene
PubChem CID91354151
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;5-methyl-1,2-oxazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccno1
InChIInChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-5-6-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyWMTCOQAZAUTQBI-UHFFFAOYSA-N
XLogP5.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2-oxazole;toluene?
The IUPAC name of ethane;5-methyl-1,2-oxazole;toluene (CID 91354151) is ethane;5-methyl-1,2-oxazole;toluene.
What is the SMILES notation for ethane;5-methyl-1,2-oxazole;toluene?
The canonical SMILES for ethane;5-methyl-1,2-oxazole;toluene is CC.CC.Cc1ccccc1.Cc1ccno1.
What is the InChIKey of ethane;5-methyl-1,2-oxazole;toluene?
The InChIKey is WMTCOQAZAUTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-5-6-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-1,2-oxazole;toluene?
ethane;5-methyl-1,2-oxazole;toluene has a molecular weight of 235.37 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2-oxazole;toluene is sourced from PubChem (CID 91354151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).