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

C11H20N2O2 — CID 155692895

IUPACethane;5-methyl-1,2-oxazole;1,3-oxazole
SMILESCC.CC.Cc1ccno1.c1cocn1
InChIInChI=1S/C4H5NO.C3H3NO.2C2H6/c1-4-2-3-5-6-4;1-2-5-3-4-1;2*1-2/h2-3H,1H3;1-3H;2*1-2H3
InChIKeyHSFUNRSMXPLPCM-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.71
Rot. Bonds

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

ethane;5-methyl-1,2-oxazole;1,3-oxazole (PubChem CID 155692895) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;5-methyl-1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Nameethane;5-methyl-1,2-oxazole;1,3-oxazole
PubChem CID155692895
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethane;5-methyl-1,2-oxazole;1,3-oxazole
SMILESCC.CC.Cc1ccno1.c1cocn1
InChIInChI=1S/C4H5NO.C3H3NO.2C2H6/c1-4-2-3-5-6-4;1-2-5-3-4-1;2*1-2/h2-3H,1H3;1-3H;2*1-2H3
InChIKeyHSFUNRSMXPLPCM-UHFFFAOYSA-N
XLogP3.71
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2-oxazole;1,3-oxazole?
The IUPAC name of ethane;5-methyl-1,2-oxazole;1,3-oxazole (CID 155692895) is ethane;5-methyl-1,2-oxazole;1,3-oxazole.
What is the SMILES notation for ethane;5-methyl-1,2-oxazole;1,3-oxazole?
The canonical SMILES for ethane;5-methyl-1,2-oxazole;1,3-oxazole is CC.CC.Cc1ccno1.c1cocn1.
What is the InChIKey of ethane;5-methyl-1,2-oxazole;1,3-oxazole?
The InChIKey is HSFUNRSMXPLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C3H3NO.2C2H6/c1-4-2-3-5-6-4;1-2-5-3-4-1;2*1-2/h2-3H,1H3;1-3H;2*1-2H3.
What are the key properties of ethane;5-methyl-1,2-oxazole;1,3-oxazole?
ethane;5-methyl-1,2-oxazole;1,3-oxazole has a molecular weight of 212.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 155692895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).