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

C19H18N2O6 — CID 135546945

IUPAC3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3O)no2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-19(23)17-10-13(21-27-17)12-6-4-5-7-14(12)22/h4-10,22H,1-3H3,(H,20,23)
InChIKeyYRNMYIIVQSCJQD-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.33
Rot. Bonds6

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

3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 135546945) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID135546945
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3O)no2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-19(23)17-10-13(21-27-17)12-6-4-5-7-14(12)22/h4-10,22H,1-3H3,(H,20,23)
InChIKeyYRNMYIIVQSCJQD-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 135546945) is 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3ccccc3O)no2)cc(OC)c1OC.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YRNMYIIVQSCJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-19(23)17-10-13(21-27-17)12-6-4-5-7-14(12)22/h4-10,22H,1-3H3,(H,20,23).
What are the key properties of 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-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 3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135546945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).