1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide

C15H13N3O2 — CID 157460786

IUPAC1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide
SMILESCc1nonc1NC(=O)c1ccc2ccccc2c1C
InChIInChI=1S/C15H13N3O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15(19)16-14-10(2)17-20-18-14/h3-8H,1-2H3,(H,16,18,19)
InChIKeyWGKLSYXXNWUVGU-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.09
Rot. Bonds2

About 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide

1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide (PubChem CID 157460786) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide
PubChem CID157460786
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide
SMILESCc1nonc1NC(=O)c1ccc2ccccc2c1C
InChIInChI=1S/C15H13N3O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15(19)16-14-10(2)17-20-18-14/h3-8H,1-2H3,(H,16,18,19)
InChIKeyWGKLSYXXNWUVGU-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide (CID 157460786) is 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide is Cc1nonc1NC(=O)c1ccc2ccccc2c1C.
What is the InChIKey of 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide?
The InChIKey is WGKLSYXXNWUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-12-6-4-3-5-11(12)7-8-13(9)15(19)16-14-10(2)17-20-18-14/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide?
1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 157460786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).