ethane;3-methyl-1,2-oxazole;toluene

C15H25NO — CID 91545947

IUPACethane;3-methyl-1,2-oxazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccon1
InChIInChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyACEHEXVZDSUMGK-UHFFFAOYSA-N
MW235.37 g/mol
LogP5.03
Rot. Bonds

About ethane;3-methyl-1,2-oxazole;toluene

ethane;3-methyl-1,2-oxazole;toluene (PubChem CID 91545947) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;3-methyl-1,2-oxazole;toluene.

Molecular Properties

Compound Nameethane;3-methyl-1,2-oxazole;toluene
PubChem CID91545947
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;3-methyl-1,2-oxazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccon1
InChIInChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyACEHEXVZDSUMGK-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;3-methyl-1,2-oxazole;toluene?
The IUPAC name of ethane;3-methyl-1,2-oxazole;toluene (CID 91545947) is ethane;3-methyl-1,2-oxazole;toluene.
What is the SMILES notation for ethane;3-methyl-1,2-oxazole;toluene?
The canonical SMILES for ethane;3-methyl-1,2-oxazole;toluene is CC.CC.Cc1ccccc1.Cc1ccon1.
What is the InChIKey of ethane;3-methyl-1,2-oxazole;toluene?
The InChIKey is ACEHEXVZDSUMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5NO.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,2-oxazole;toluene?
ethane;3-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;3-methyl-1,2-oxazole;toluene is sourced from PubChem (CID 91545947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).