2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid

C11H12N4O4 — CID 95916416

IUPAC2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCCc1noc(-c2cnc(C)n(CC(=O)O)c2=O)n1
InChIInChI=1S/C11H12N4O4/c1-3-8-13-10(19-14-8)7-4-12-6(2)15(11(7)18)5-9(16)17/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyCHHKHZYHVPBMFU-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.25
Rot. Bonds4

About 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid

2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 95916416) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid
PubChem CID95916416
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCCc1noc(-c2cnc(C)n(CC(=O)O)c2=O)n1
InChIInChI=1S/C11H12N4O4/c1-3-8-13-10(19-14-8)7-4-12-6(2)15(11(7)18)5-9(16)17/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyCHHKHZYHVPBMFU-UHFFFAOYSA-N
XLogP0.25
TPSA111.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid (CID 95916416) is 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid is CCc1noc(-c2cnc(C)n(CC(=O)O)c2=O)n1.
What is the InChIKey of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is CHHKHZYHVPBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-3-8-13-10(19-14-8)7-4-12-6(2)15(11(7)18)5-9(16)17/h4H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid?
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 95916416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).