ethane;methanol;1,3-oxazole

C6H13NO2 — CID 91211354

IUPACethane;methanol;1,3-oxazole
SMILESCC.CO.c1cocn1
InChIInChI=1S/C3H3NO.C2H6.CH4O/c1-2-5-3-4-1;2*1-2/h1-3H;1-2H3;2H,1H3
InChIKeyJYURYBHOPLAKBK-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.31
Rot. Bonds

About ethane;methanol;1,3-oxazole

ethane;methanol;1,3-oxazole (PubChem CID 91211354) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is ethane;methanol;1,3-oxazole.

Molecular Properties

Compound Nameethane;methanol;1,3-oxazole
PubChem CID91211354
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nameethane;methanol;1,3-oxazole
SMILESCC.CO.c1cocn1
InChIInChI=1S/C3H3NO.C2H6.CH4O/c1-2-5-3-4-1;2*1-2/h1-3H;1-2H3;2H,1H3
InChIKeyJYURYBHOPLAKBK-UHFFFAOYSA-N
XLogP1.31
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1,3-oxazole?
The IUPAC name of ethane;methanol;1,3-oxazole (CID 91211354) is ethane;methanol;1,3-oxazole.
What is the SMILES notation for ethane;methanol;1,3-oxazole?
The canonical SMILES for ethane;methanol;1,3-oxazole is CC.CO.c1cocn1.
What is the InChIKey of ethane;methanol;1,3-oxazole?
The InChIKey is JYURYBHOPLAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2H6.CH4O/c1-2-5-3-4-1;2*1-2/h1-3H;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1,3-oxazole?
ethane;methanol;1,3-oxazole has a molecular weight of 131.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1,3-oxazole is sourced from PubChem (CID 91211354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).