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

C8H8N2O4 — CID 23054501

IUPAC2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C1=NCC(=O)O1)C1=NCC(=O)O1
InChIInChI=1S/C8H8N2O4/c1-4(7-9-2-5(11)13-7)8-10-3-6(12)14-8/h4H,2-3H2,1H3
InChIKeyQXSCKTFLMYFVNX-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.47
Rot. Bonds2

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

2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (PubChem CID 23054501) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
PubChem CID23054501
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C1=NCC(=O)O1)C1=NCC(=O)O1
InChIInChI=1S/C8H8N2O4/c1-4(7-9-2-5(11)13-7)8-10-3-6(12)14-8/h4H,2-3H2,1H3
InChIKeyQXSCKTFLMYFVNX-UHFFFAOYSA-N
XLogP-0.47
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-Isopropyl-4H-oxazol-5-one
CID 536511
2-[2-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 19078032
2-[(5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
CID 19078052
4-methyl-2-[(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)methyl]-4H-1,3-oxazol-5-one
CID 19881962
2-[(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)methyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881964
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054506
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 23056147
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
2-[(5-oxo-4H-1,3-oxazol-4-id-2-yl)methyl]-4H-1,3-oxazol-4-id-5-one;rhenium
CID 59678474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one (CID 23054501) is 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is CC(C1=NCC(=O)O1)C1=NCC(=O)O1.
What is the InChIKey of 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is QXSCKTFLMYFVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-4(7-9-2-5(11)13-7)8-10-3-6(12)14-8/h4H,2-3H2,1H3.
What are the key properties of 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one?
2-[1-(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 -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 23054501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).