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

C19H18N2O6 — CID 5307652

IUPAC5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-24-16-8-12(9-17(25-2)18(16)26-3)20-19(23)14-10-15(27-21-14)11-5-4-6-13(22)7-11/h4-10,22H,1-3H3,(H,20,23)
InChIKeyXPLQRNAMYCUSKL-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.33
Rot. Bonds6

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

5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5307652) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5307652
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-24-16-8-12(9-17(25-2)18(16)26-3)20-19(23)14-10-15(27-21-14)11-5-4-6-13(22)7-11/h4-10,22H,1-3H3,(H,20,23)
InChIKeyXPLQRNAMYCUSKL-UHFFFAOYSA-N
XLogP3.33
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
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-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729
Methyl 4,5-dimethoxy-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzoate
CID 1246353
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1251518
5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazole-3-carboxamide
CID 3236665
N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3241613

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 5307652) is 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc(OC)c1OC.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XPLQRNAMYCUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-24-16-8-12(9-17(25-2)18(16)26-3)20-19(23)14-10-15(27-21-14)11-5-4-6-13(22)7-11/h4-10,22H,1-3H3,(H,20,23).
What are the key properties of 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).