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

C13H19NO — CID 91542594

IUPACethane;2-methyl-1,3-oxazole;toluene
SMILESCC.Cc1ccccc1.Cc1ncco1
InChIInChI=1S/C7H8.C4H5NO.C2H6/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4;1-2/h2-6H,1H3;2-3H,1H3;1-2H3
InChIKeyJBFRZPJRBIHAJM-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.00
Rot. Bonds

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

ethane;2-methyl-1,3-oxazole;toluene (PubChem CID 91542594) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole;toluene.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazole;toluene
PubChem CID91542594
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;2-methyl-1,3-oxazole;toluene
SMILESCC.Cc1ccccc1.Cc1ncco1
InChIInChI=1S/C7H8.C4H5NO.C2H6/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4;1-2/h2-6H,1H3;2-3H,1H3;1-2H3
InChIKeyJBFRZPJRBIHAJM-UHFFFAOYSA-N
XLogP4.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazole;toluene?
The IUPAC name of ethane;2-methyl-1,3-oxazole;toluene (CID 91542594) is ethane;2-methyl-1,3-oxazole;toluene.
What is the SMILES notation for ethane;2-methyl-1,3-oxazole;toluene?
The canonical SMILES for ethane;2-methyl-1,3-oxazole;toluene is CC.Cc1ccccc1.Cc1ncco1.
What is the InChIKey of ethane;2-methyl-1,3-oxazole;toluene?
The InChIKey is JBFRZPJRBIHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5NO.C2H6/c1-7-5-3-2-4-6-7;1-4-5-2-3-6-4;1-2/h2-6H,1H3;2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazole;toluene?
ethane;2-methyl-1,3-oxazole;toluene has a molecular weight of 205.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazole;toluene is sourced from PubChem (CID 91542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).