ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole

C12H22N2O2 — CID 155692309

IUPACethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole
SMILESCC.CC.Cc1ccno1.Cc1cocn1
InChIInChI=1S/2C4H5NO.2C2H6/c1-4-2-6-3-5-4;1-4-2-3-5-6-4;2*1-2/h2*2-3H,1H3;2*1-2H3
InChIKeyLEKCIYLAOHBDOC-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.02
Rot. Bonds

About ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole

ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole (PubChem CID 155692309) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole.

Molecular Properties

Compound Nameethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole
PubChem CID155692309
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole
SMILESCC.CC.Cc1ccno1.Cc1cocn1
InChIInChI=1S/2C4H5NO.2C2H6/c1-4-2-6-3-5-4;1-4-2-3-5-6-4;2*1-2/h2*2-3H,1H3;2*1-2H3
InChIKeyLEKCIYLAOHBDOC-UHFFFAOYSA-N
XLogP4.02
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-1,3-oxazole;ethane;4-methyl-1,2-oxazole
CID 142367938
5-Methyl-1,2-oxazole;4-propan-2-yl-1,3-oxazole
CID 153582974
4-Propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole
CID 153582995
Ethane;5-methyl-1,2-oxazole;1,3-oxazole
CID 155692895
3-Methyl-1,2-oxazole;4-methyl-1,3-oxazole
CID 157807829
2-Methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole
CID 159975295
4-Methyl-2-(1,2-oxazol-5-ylmethylsulfanyl)-1,3-oxazole
CID 130670031

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole?
The IUPAC name of ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole (CID 155692309) is ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole.
What is the SMILES notation for ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole?
The canonical SMILES for ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole is CC.CC.Cc1ccno1.Cc1cocn1.
What is the InChIKey of ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole?
The InChIKey is LEKCIYLAOHBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO.2C2H6/c1-4-2-6-3-5-4;1-4-2-3-5-6-4;2*1-2/h2*2-3H,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole?
ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole has a molecular weight of 226.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole is sourced from PubChem (CID 155692309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).