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

C20H20N2O6 — CID 3241958

IUPAC5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C20H20N2O6/c1-24-14-7-5-6-12(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)
InChIKeyGCGNMSRSQXVMDQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.63
Rot. Bonds7

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

5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3241958) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3241958
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C20H20N2O6/c1-24-14-7-5-6-12(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)
InChIKeyGCGNMSRSQXVMDQ-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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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
[5-(3-hydroxyphenyl)isoxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)carboxamide
CID 5307652
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9551038

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3241958) is 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GCGNMSRSQXVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-24-14-7-5-6-12(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-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(3-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-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).