6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide

C11H11N3O4 — CID 86287074

IUPAC6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCc2nnc(C)o2)o1
InChIInChI=1S/C11H11N3O4/c1-6-3-8(15)4-9(17-6)11(16)12-5-10-14-13-7(2)18-10/h3-4H,5H2,1-2H3,(H,12,16)
InChIKeyIUDXNKFGYXJYRO-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.57
Rot. Bonds3

About 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide

6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide (PubChem CID 86287074) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
PubChem CID86287074
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCc2nnc(C)o2)o1
InChIInChI=1S/C11H11N3O4/c1-6-3-8(15)4-9(17-6)11(16)12-5-10-14-13-7(2)18-10/h3-4H,5H2,1-2H3,(H,12,16)
InChIKeyIUDXNKFGYXJYRO-UHFFFAOYSA-N
XLogP0.57
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide
CID 172882424
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91792992
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide
CID 144577111
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
CID 46998360
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 90506294

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide (CID 86287074) is 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCc2nnc(C)o2)o1.
What is the InChIKey of 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide?
The InChIKey is IUDXNKFGYXJYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-3-8(15)4-9(17-6)11(16)12-5-10-14-13-7(2)18-10/h3-4H,5H2,1-2H3,(H,12,16).
What are the key properties of 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 86287074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).