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

C15H13N3O4 — CID 172882424

IUPAC7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3nnc(C)o3)oc(=O)c2c1
InChIInChI=1S/C15H13N3O4/c1-8-3-4-10-6-12(22-15(20)11(10)5-8)14(19)16-7-13-18-17-9(2)21-13/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyBPDPXQSWEIMFGU-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.72
Rot. Bonds3

About 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide

7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide (PubChem CID 172882424) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide
PubChem CID172882424
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3nnc(C)o3)oc(=O)c2c1
InChIInChI=1S/C15H13N3O4/c1-8-3-4-10-6-12(22-15(20)11(10)5-8)14(19)16-7-13-18-17-9(2)21-13/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyBPDPXQSWEIMFGU-UHFFFAOYSA-N
XLogP1.72
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-N-[(4-methylphenyl)methyl]-1-oxoisochromene-3-carboxamide
CID 172905790
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
7-methyl-1-oxo-N-(2-pyrrol-1-ylethyl)isochromene-3-carboxamide
CID 172882439
7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide
CID 172882449
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
7-methyl-N-(4-methylsulfonylphenyl)-1-oxoisochromene-3-carboxamide
CID 175651900
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
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
7-methyl-N-[(4-methylphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 3279861

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide?
The IUPAC name of 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide (CID 172882424) is 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide?
The canonical SMILES for 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide is Cc1ccc2cc(C(=O)NCc3nnc(C)o3)oc(=O)c2c1.
What is the InChIKey of 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide?
The InChIKey is BPDPXQSWEIMFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-8-3-4-10-6-12(22-15(20)11(10)5-8)14(19)16-7-13-18-17-9(2)21-13/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide?
7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 172882424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).