5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

C20H20N2O6 — CID 17252848

IUPAC5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C20H20N2O6/c1-24-14-7-5-12(6-8-14)16-11-15(22-28-16)20(23)21-13-9-17(25-2)19(27-4)18(10-13)26-3/h5-11H,1-4H3,(H,21,23)
InChIKeyWUWHFDWHYJVXLV-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.63
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252848) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17252848
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C20H20N2O6/c1-24-14-7-5-12(6-8-14)16-11-15(22-28-16)20(23)21-13-9-17(25-2)19(27-4)18(10-13)26-3/h5-11H,1-4H3,(H,21,23)
InChIKeyWUWHFDWHYJVXLV-UHFFFAOYSA-N
XLogP3.63
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 17252848) is 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WUWHFDWHYJVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-24-14-7-5-12(6-8-14)16-11-15(22-28-16)20(23)21-13-9-17(25-2)19(27-4)18(10-13)26-3/h5-11H,1-4H3,(H,21,23).
What are the key properties of 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).