ethane;2-methyl-4H-1,3-oxazol-5-one

C6H11NO2 — CID 144606818

IUPACethane;2-methyl-4H-1,3-oxazol-5-one
SMILESCC.CC1=NCC(=O)O1
InChIInChI=1S/C4H5NO2.C2H6/c1-3-5-2-4(6)7-3;1-2/h2H2,1H3;1-2H3
InChIKeyHJNHVBNWPRUJOG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.99
Rot. Bonds

About ethane;2-methyl-4H-1,3-oxazol-5-one

ethane;2-methyl-4H-1,3-oxazol-5-one (PubChem CID 144606818) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethane;2-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Nameethane;2-methyl-4H-1,3-oxazol-5-one
PubChem CID144606818
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethane;2-methyl-4H-1,3-oxazol-5-one
SMILESCC.CC1=NCC(=O)O1
InChIInChI=1S/C4H5NO2.C2H6/c1-3-5-2-4(6)7-3;1-2/h2H2,1H3;1-2H3
InChIKeyHJNHVBNWPRUJOG-UHFFFAOYSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of ethane;2-methyl-4H-1,3-oxazol-5-one (CID 144606818) is ethane;2-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for ethane;2-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for ethane;2-methyl-4H-1,3-oxazol-5-one is CC.CC1=NCC(=O)O1.
What is the InChIKey of ethane;2-methyl-4H-1,3-oxazol-5-one?
The InChIKey is HJNHVBNWPRUJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H6/c1-3-5-2-4(6)7-3;1-2/h2H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4H-1,3-oxazol-5-one?
ethane;2-methyl-4H-1,3-oxazol-5-one has a molecular weight of 129.16 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 144606818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).