3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C10H10N4O5 — CID 68788415

IUPAC3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCc1noc(Cn2c(=O)cc(C(=O)O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O5/c1-2-6-12-7(19-13-6)4-14-8(15)3-5(9(16)17)11-10(14)18/h3H,2,4H2,1H3,(H,11,18)(H,16,17)
InChIKeyRVHQEFZLHSIHOO-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.77
Rot. Bonds4

About 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 68788415) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID68788415
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCc1noc(Cn2c(=O)cc(C(=O)O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O5/c1-2-6-12-7(19-13-6)4-14-8(15)3-5(9(16)17)11-10(14)18/h3H,2,4H2,1H3,(H,11,18)(H,16,17)
InChIKeyRVHQEFZLHSIHOO-UHFFFAOYSA-N
XLogP-0.77
TPSA131.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 68788415) is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCc1noc(Cn2c(=O)cc(C(=O)O)[nH]c2=O)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is RVHQEFZLHSIHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c1-2-6-12-7(19-13-6)4-14-8(15)3-5(9(16)17)11-10(14)18/h3H,2,4H2,1H3,(H,11,18)(H,16,17).
What are the key properties of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 266.21 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 68788415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).