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

C7H6N2O4 — CID 19078052

IUPAC2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CC2=NCC(=O)O2)O1
InChIInChI=1S/C7H6N2O4/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5/h1-3H2
InChIKeyWVFQIHLBBWLQGN-UHFFFAOYSA-N
MW182.13 g/mol
LogP-0.71
Rot. Bonds2

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

2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one (PubChem CID 19078052) has the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
PubChem CID19078052
Molecular FormulaC7H6N2O4
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CC2=NCC(=O)O2)O1
InChIInChI=1S/C7H6N2O4/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5/h1-3H2
InChIKeyWVFQIHLBBWLQGN-UHFFFAOYSA-N
XLogP-0.71
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one (CID 19078052) is 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one is O=C1CN=C(CC2=NCC(=O)O2)O1.
What is the InChIKey of 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
The InChIKey is WVFQIHLBBWLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-6-2-8-4(12-6)1-5-9-3-7(11)13-5/h1-3H2.
What are the key properties of 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one?
2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one has a molecular weight of 182.13 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).