3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

C10H9N3O5 — CID 39335876

IUPAC3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1occc(=O)c1OCc1noc(C(N)=O)n1
InChIInChI=1S/C10H9N3O5/c1-5-8(6(14)2-3-16-5)17-4-7-12-10(9(11)15)18-13-7/h2-3H,4H2,1H3,(H2,11,15)
InChIKeyYILWIPHBWFQKFV-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.01
Rot. Bonds4

About 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39335876) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39335876
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1occc(=O)c1OCc1noc(C(N)=O)n1
InChIInChI=1S/C10H9N3O5/c1-5-8(6(14)2-3-16-5)17-4-7-12-10(9(11)15)18-13-7/h2-3H,4H2,1H3,(H2,11,15)
InChIKeyYILWIPHBWFQKFV-UHFFFAOYSA-N
XLogP0.01
TPSA121.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (CID 39335876) is 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is Cc1occc(=O)c1OCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YILWIPHBWFQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c1-5-8(6(14)2-3-16-5)17-4-7-12-10(9(11)15)18-13-7/h2-3H,4H2,1H3,(H2,11,15).
What are the key properties of 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 251.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39335876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).