2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one

C8H8N2O4 — CID 19078032

IUPAC2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CCC2=NCC(=O)O2)O1
InChIInChI=1S/C8H8N2O4/c11-7-3-9-5(13-7)1-2-6-10-4-8(12)14-6/h1-4H2
InChIKeyVEENQZKPWOABER-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.32
Rot. Bonds3

About 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one

2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (PubChem CID 19078032) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
PubChem CID19078032
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CCC2=NCC(=O)O2)O1
InChIInChI=1S/C8H8N2O4/c11-7-3-9-5(13-7)1-2-6-10-4-8(12)14-6/h1-4H2
InChIKeyVEENQZKPWOABER-UHFFFAOYSA-N
XLogP-0.32
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (CID 19078032) is 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is O=C1CN=C(CCC2=NCC(=O)O2)O1.
What is the InChIKey of 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is VEENQZKPWOABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7-3-9-5(13-7)1-2-6-10-4-8(12)14-6/h1-4H2.
What are the key properties of 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one has a molecular weight of 196.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).