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

C10H16N2O2 — CID 178114056

IUPACethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole
SMILESCC.Cc1ccon1.Cc1ncco1
InChIInChI=1S/2C4H5NO.C2H6/c1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-2/h2*2-3H,1H3;1-2H3
InChIKeyMXEDIUOKMUOKDR-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.99
Rot. Bonds

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

ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole (PubChem CID 178114056) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole
PubChem CID178114056
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole
SMILESCC.Cc1ccon1.Cc1ncco1
InChIInChI=1S/2C4H5NO.C2H6/c1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-2/h2*2-3H,1H3;1-2H3
InChIKeyMXEDIUOKMUOKDR-UHFFFAOYSA-N
XLogP2.99
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole?
The IUPAC name of ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole (CID 178114056) is ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole.
What is the SMILES notation for ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole?
The canonical SMILES for ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole is CC.Cc1ccon1.Cc1ncco1.
What is the InChIKey of ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole?
The InChIKey is MXEDIUOKMUOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO.C2H6/c1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-2/h2*2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole?
ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole has a molecular weight of 196.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole is sourced from PubChem (CID 178114056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).