ethane;3-methyl-1,3-oxazol-2-one

C6H11NO2 — CID 91009733

IUPACethane;3-methyl-1,3-oxazol-2-one
SMILESCC.Cn1ccoc1=O
InChIInChI=1S/C4H5NO2.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3
InChIKeyVQKDHGHMGDUNCV-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.00
Rot. Bonds

About ethane;3-methyl-1,3-oxazol-2-one

ethane;3-methyl-1,3-oxazol-2-one (PubChem CID 91009733) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethane;3-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-oxazol-2-one
PubChem CID91009733
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethane;3-methyl-1,3-oxazol-2-one
SMILESCC.Cn1ccoc1=O
InChIInChI=1S/C4H5NO2.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3
InChIKeyVQKDHGHMGDUNCV-UHFFFAOYSA-N
XLogP1.00
TPSA35.14 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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-oxazol-2-one?
The IUPAC name of ethane;3-methyl-1,3-oxazol-2-one (CID 91009733) is ethane;3-methyl-1,3-oxazol-2-one.
What is the SMILES notation for ethane;3-methyl-1,3-oxazol-2-one?
The canonical SMILES for ethane;3-methyl-1,3-oxazol-2-one is CC.Cn1ccoc1=O.
What is the InChIKey of ethane;3-methyl-1,3-oxazol-2-one?
The InChIKey is VQKDHGHMGDUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H6/c1-5-2-3-7-4(5)6;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3-oxazol-2-one?
ethane;3-methyl-1,3-oxazol-2-one has a molecular weight of 129.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 91009733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).