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

C18H16N2O4 — CID 3494857

IUPAC5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C18H16N2O4/c1-22-14-8-6-13(7-9-14)19-18(21)16-11-17(24-20-16)12-4-3-5-15(10-12)23-2/h3-11H,1-2H3,(H,19,21)
InChIKeyNZTZUAAUXMLRCQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.61
Rot. Bonds5

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

5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3494857) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3494857
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C18H16N2O4/c1-22-14-8-6-13(7-9-14)19-18(21)16-11-17(24-20-16)12-4-3-5-15(10-12)23-2/h3-11H,1-2H3,(H,19,21)
InChIKeyNZTZUAAUXMLRCQ-UHFFFAOYSA-N
XLogP3.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3494857) is 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)on2)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NZTZUAAUXMLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-14-8-6-13(7-9-14)19-18(21)16-11-17(24-20-16)12-4-3-5-15(10-12)23-2/h3-11H,1-2H3,(H,19,21).
What are the key properties of 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3494857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).