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

C15H18N2O4 — CID 717559

IUPAC3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C15H18N2O4/c1-4-19-12-7-6-11(9-13(12)20-5-2)15(18)16-14-8-10(3)21-17-14/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySWEHIJYMMZCQCF-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.03
Rot. Bonds6

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

3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 717559) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID717559
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC
InChIInChI=1S/C15H18N2O4/c1-4-19-12-7-6-11(9-13(12)20-5-2)15(18)16-14-8-10(3)21-17-14/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeySWEHIJYMMZCQCF-UHFFFAOYSA-N
XLogP3.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 717559) is 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is SWEHIJYMMZCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-19-12-7-6-11(9-13(12)20-5-2)15(18)16-14-8-10(3)21-17-14/h6-9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 290.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 717559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).