3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C13H14N2O4 — CID 694790

IUPAC3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyLZELTTNSPNYMCU-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

About 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 694790) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID694790
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyLZELTTNSPNYMCU-UHFFFAOYSA-N
XLogP2.25
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 694790) is 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is COc1ccc(C(=O)Nc2cc(C)on2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is LZELTTNSPNYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)9-4-5-10(17-2)11(7-9)18-3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 262.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 694790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).