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

C12H23N3O — CID 164926605

IUPACethane;1-methylimidazole;2-methyl-1,3-oxazole
SMILESCC.CC.Cc1ncco1.Cn1ccnc1
InChIInChI=1S/C4H6N2.C4H5NO.2C2H6/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-2/h2-4H,1H3;2-3H,1H3;2*1-2H3
InChIKeyYIZYWQXGBCDMGL-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.46
Rot. Bonds

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

ethane;1-methylimidazole;2-methyl-1,3-oxazole (PubChem CID 164926605) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is ethane;1-methylimidazole;2-methyl-1,3-oxazole.

Molecular Properties

Compound Nameethane;1-methylimidazole;2-methyl-1,3-oxazole
PubChem CID164926605
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameethane;1-methylimidazole;2-methyl-1,3-oxazole
SMILESCC.CC.Cc1ncco1.Cn1ccnc1
InChIInChI=1S/C4H6N2.C4H5NO.2C2H6/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-2/h2-4H,1H3;2-3H,1H3;2*1-2H3
InChIKeyYIZYWQXGBCDMGL-UHFFFAOYSA-N
XLogP3.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;2-methyl-1,3-oxazole?
The IUPAC name of ethane;1-methylimidazole;2-methyl-1,3-oxazole (CID 164926605) is ethane;1-methylimidazole;2-methyl-1,3-oxazole.
What is the SMILES notation for ethane;1-methylimidazole;2-methyl-1,3-oxazole?
The canonical SMILES for ethane;1-methylimidazole;2-methyl-1,3-oxazole is CC.CC.Cc1ncco1.Cn1ccnc1.
What is the InChIKey of ethane;1-methylimidazole;2-methyl-1,3-oxazole?
The InChIKey is YIZYWQXGBCDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C4H5NO.2C2H6/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-2/h2-4H,1H3;2-3H,1H3;2*1-2H3.
What are the key properties of ethane;1-methylimidazole;2-methyl-1,3-oxazole?
ethane;1-methylimidazole;2-methyl-1,3-oxazole has a molecular weight of 225.34 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole;2-methyl-1,3-oxazole is sourced from PubChem (CID 164926605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).