(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate

C8H6N2O5 — CID 150767969

IUPAC(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cnco1
InChIInChI=1S/C8H6N2O5/c11-6-1-2-7(12)10(6)15-8(13)5-3-9-4-14-5/h3-4H,1-2H2
InChIKeyJZGBKKLAPSINTR-UHFFFAOYSA-N
MW210.15 g/mol
LogP-0.10
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate (PubChem CID 150767969) has the molecular formula C8H6N2O5 and a molecular weight of 210.15 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate
PubChem CID150767969
Molecular FormulaC8H6N2O5
Molecular Weight210.15 g/mol
Exact Mass210.03
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cnco1
InChIInChI=1S/C8H6N2O5/c11-6-1-2-7(12)10(6)15-8(13)5-3-9-4-14-5/h3-4H,1-2H2
InChIKeyJZGBKKLAPSINTR-UHFFFAOYSA-N
XLogP-0.10
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;(2,5-dioxopyrrolidin-1-yl) 1,3-oxazol-5-ylmethyl carbonate
CID 159499892
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
1,3-oxazole-5-carboxamide
CID 22318809
(2,5-dioxopyrrolidin-1-yl) 1-methylpyrazole-4-carboxylate
CID 155920798
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
bis(2,5-dioxopyrrolidin-1-yl) 5-iodobenzene-1,3-dicarboxylate
CID 146663056
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) isoquinoline-5-carboxylate
CID 122221270
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
CID 15341491
(2,5-dioxopyrrolidin-1-yl) 1-methylimidazole-4-carboxylate
CID 101239643
(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate
CID 87558954

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate (CID 150767969) is (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate is O=C(ON1C(=O)CCC1=O)c1cnco1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate?
The InChIKey is JZGBKKLAPSINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O5/c11-6-1-2-7(12)10(6)15-8(13)5-3-9-4-14-5/h3-4H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate has a molecular weight of 210.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1,3-oxazole-5-carboxylate is sourced from PubChem (CID 150767969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).