5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione

C7H5N3O3 — CID 172751963

IUPAC5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccon2)c(=O)[nH]1
InChIInChI=1S/C7H5N3O3/c11-6-4(3-8-7(12)9-6)5-1-2-13-10-5/h1-3H,(H2,8,9,11,12)
InChIKeyKMMJMHWYCHGLNX-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.28
Rot. Bonds1

About 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione

5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 172751963) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID172751963
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccon2)c(=O)[nH]1
InChIInChI=1S/C7H5N3O3/c11-6-4(3-8-7(12)9-6)5-1-2-13-10-5/h1-3H,(H2,8,9,11,12)
InChIKeyKMMJMHWYCHGLNX-UHFFFAOYSA-N
XLogP-0.28
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione (CID 172751963) is 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2ccon2)c(=O)[nH]1.
What is the InChIKey of 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is KMMJMHWYCHGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-4(3-8-7(12)9-6)5-1-2-13-10-5/h1-3H,(H2,8,9,11,12).
What are the key properties of 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 179.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172751963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).