5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

C16H15N3O5 — CID 3662250

IUPAC5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OC
InChIInChI=1S/C16H15N3O5/c1-9-6-15(19-23-9)17-16(20)11-8-13(24-18-11)10-4-5-12(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,19,20)
InChIKeyDWJXTZHTHXULTA-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.91
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 3662250) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID3662250
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OC
InChIInChI=1S/C16H15N3O5/c1-9-6-15(19-23-9)17-16(20)11-8-13(24-18-11)10-4-5-12(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,19,20)
InChIKeyDWJXTZHTHXULTA-UHFFFAOYSA-N
XLogP2.91
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (CID 3662250) is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DWJXTZHTHXULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-9-6-15(19-23-9)17-16(20)11-8-13(24-18-11)10-4-5-12(21-2)14(7-10)22-3/h4-8H,1-3H3,(H,17,19,20).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3662250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).