methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate

C9H8N4O3 — CID 141168433

IUPACmethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2noc(C)n2)nc1
InChIInChI=1S/C9H8N4O3/c1-5-12-8(13-16-5)7-10-3-6(4-11-7)9(14)15-2/h3-4H,1-2H3
InChIKeyUBERJKRMCNRYGU-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.62
Rot. Bonds2

About methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate

methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate (PubChem CID 141168433) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate
PubChem CID141168433
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Namemethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2noc(C)n2)nc1
InChIInChI=1S/C9H8N4O3/c1-5-12-8(13-16-5)7-10-3-6(4-11-7)9(14)15-2/h3-4H,1-2H3
InChIKeyUBERJKRMCNRYGU-UHFFFAOYSA-N
XLogP0.62
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate (CID 141168433) is methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate is COC(=O)c1cnc(-c2noc(C)n2)nc1.
What is the InChIKey of methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate?
The InChIKey is UBERJKRMCNRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-5-12-8(13-16-5)7-10-3-6(4-11-7)9(14)15-2/h3-4H,1-2H3.
What are the key properties of methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate?
methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate has a molecular weight of 220.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 141168433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).