N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide

C13H11N3O3 — CID 3759804

IUPACN-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C13H11N3O3/c1-8-10(7-14)13(19-16-8)15-12(17)9-5-3-4-6-11(9)18-2/h3-6H,1-2H3,(H,15,17)
InChIKeyKOWMKJWIYGWDOM-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.12
Rot. Bonds3

About N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide

N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide (PubChem CID 3759804) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
PubChem CID3759804
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1onc(C)c1C#N
InChIInChI=1S/C13H11N3O3/c1-8-10(7-14)13(19-16-8)15-12(17)9-5-3-4-6-11(9)18-2/h3-6H,1-2H3,(H,15,17)
InChIKeyKOWMKJWIYGWDOM-UHFFFAOYSA-N
XLogP2.12
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide (CID 3759804) is N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1onc(C)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide?
The InChIKey is KOWMKJWIYGWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-10(7-14)13(19-16-8)15-12(17)9-5-3-4-6-11(9)18-2/h3-6H,1-2H3,(H,15,17).
What are the key properties of N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide?
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 3759804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).