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

C19H18N2O5 — CID 1093729

IUPAC5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-16-9-13(10-17(24-2)18(16)25-3)20-19(22)14-11-15(26-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)
InChIKeyYVJWNMLCMJMAHN-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.62
Rot. Bonds6

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

5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093729) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093729
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-16-9-13(10-17(24-2)18(16)25-3)20-19(22)14-11-15(26-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)
InChIKeyYVJWNMLCMJMAHN-UHFFFAOYSA-N
XLogP3.62
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 1093729) is 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YVJWNMLCMJMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-16-9-13(10-17(24-2)18(16)25-3)20-19(22)14-11-15(26-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22).
What are the key properties of 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).