methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate

C5H6N2O3 — CID 22099250

IUPACmethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C)o1
InChIInChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)5(8)9-2/h1-2H3
InChIKeyCTSJDHGAPMBMAR-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.16
Rot. Bonds1

About methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate

methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 22099250) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID22099250
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Namemethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C)o1
InChIInChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)5(8)9-2/h1-2H3
InChIKeyCTSJDHGAPMBMAR-UHFFFAOYSA-N
XLogP0.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate (CID 22099250) is methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(C)o1.
What is the InChIKey of methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is CTSJDHGAPMBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)5(8)9-2/h1-2H3.
What are the key properties of methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate?
methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 142.11 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 22099250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).