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

C4H5N3O2 — CID 59838291

IUPAC3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(N)=O)n1
InChIInChI=1S/C4H5N3O2/c1-2-6-4(3(5)8)9-7-2/h1H3,(H2,5,8)
InChIKeyXCLQSZVDCWPERX-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.52
Rot. Bonds1

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

3-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 59838291) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 3-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID59838291
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name3-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1noc(C(N)=O)n1
InChIInChI=1S/C4H5N3O2/c1-2-6-4(3(5)8)9-7-2/h1H3,(H2,5,8)
InChIKeyXCLQSZVDCWPERX-UHFFFAOYSA-N
XLogP-0.52
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-methyl-1,2,4-oxadiazole-5-carboxamide (CID 59838291) is 3-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-1,2,4-oxadiazole-5-carboxamide is Cc1noc(C(N)=O)n1.
What is the InChIKey of 3-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XCLQSZVDCWPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c1-2-6-4(3(5)8)9-7-2/h1H3,(H2,5,8).
What are the key properties of 3-methyl-1,2,4-oxadiazole-5-carboxamide?
3-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 59838291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).