4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

C10H14N4O4 — CID 146093879

IUPAC4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCNC1=O
InChIInChI=1S/C10H14N4O4/c1-6(2)8-12-18-10(17)14(8)5-7(15)13-4-3-11-9(13)16/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyAHVOBMRZLOENEH-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.49
Rot. Bonds3

About 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 146093879) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID146093879
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCNC1=O
InChIInChI=1S/C10H14N4O4/c1-6(2)8-12-18-10(17)14(8)5-7(15)13-4-3-11-9(13)16/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyAHVOBMRZLOENEH-UHFFFAOYSA-N
XLogP-0.49
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (CID 146093879) is 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)c1noc(=O)n1CC(=O)N1CCNC1=O.
What is the InChIKey of 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is AHVOBMRZLOENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(2)8-12-18-10(17)14(8)5-7(15)13-4-3-11-9(13)16/h6H,3-5H2,1-2H3,(H,11,16).
What are the key properties of 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 254.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146093879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).