1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid

C10H10N4O5 — CID 114186852

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1noc(CCn2cc(C(=O)O)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O5/c1-5-11-7(19-13-5)2-3-14-4-6(9(16)17)8(15)12-10(14)18/h4H,2-3H2,1H3,(H,16,17)(H,12,15,18)
InChIKeyDDODTKROLFKTLW-UHFFFAOYSA-N
MW266.21 g/mol
LogP-0.83
Rot. Bonds4

About 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 114186852) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID114186852
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1noc(CCn2cc(C(=O)O)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10N4O5/c1-5-11-7(19-13-5)2-3-14-4-6(9(16)17)8(15)12-10(14)18/h4H,2-3H2,1H3,(H,16,17)(H,12,15,18)
InChIKeyDDODTKROLFKTLW-UHFFFAOYSA-N
XLogP-0.83
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 ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 114186852) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid is Cc1noc(CCn2cc(C(=O)O)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is DDODTKROLFKTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c1-5-11-7(19-13-5)2-3-14-4-6(9(16)17)8(15)12-10(14)18/h4H,2-3H2,1H3,(H,16,17)(H,12,15,18).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 266.21 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 114186852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).