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

C13H14N2O4 — CID 670331

IUPAC2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyMYKFBKYCDBCZGA-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds4

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

2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 670331) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID670331
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyMYKFBKYCDBCZGA-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 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 670331) is 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is COc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is MYKFBKYCDBCZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
2,4-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 2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 670331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).