oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione

C12H12N6O5 — CID 174488205

IUPACoxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C4H4N2O2.2C3H3NO.C2H2N2O/c7-3-1-2-5-4(8)6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-2H,(H2,5,6,7,8);2*1-3H;1-2H
InChIKeyGATPUBZUKRBVQX-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.48
Rot. Bonds

About oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione

oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione (PubChem CID 174488205) has the molecular formula C12H12N6O5 and a molecular weight of 320.27 g/mol. Its IUPAC name is oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameoxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione
PubChem CID174488205
Molecular FormulaC12H12N6O5
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Nameoxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C4H4N2O2.2C3H3NO.C2H2N2O/c7-3-1-2-5-4(8)6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-2H,(H2,5,6,7,8);2*1-3H;1-2H
InChIKeyGATPUBZUKRBVQX-UHFFFAOYSA-N
XLogP0.48
TPSA156.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione?
The IUPAC name of oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione (CID 174488205) is oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione.
What is the SMILES notation for oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione?
The canonical SMILES for oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)[nH]1.c1cnoc1.c1cocn1.c1conn1.
What is the InChIKey of oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione?
The InChIKey is GATPUBZUKRBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.2C3H3NO.C2H2N2O/c7-3-1-2-5-4(8)6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-2H,(H2,5,6,7,8);2*1-3H;1-2H.
What are the key properties of oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione?
oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione has a molecular weight of 320.27 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174488205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).