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

C20H20N2O4 — CID 139590041

IUPAC2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3)c(C)o2)c1O
InChIInChI=1S/C20H20N2O4/c1-13-17(19(24)21-12-11-14-7-4-3-5-8-14)22-20(26-13)15-9-6-10-16(25-2)18(15)23/h3-10,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyMDKMSZUTNDZRQG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.34
Rot. Bonds6

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

2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 139590041) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID139590041
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCc3ccccc3)c(C)o2)c1O
InChIInChI=1S/C20H20N2O4/c1-13-17(19(24)21-12-11-14-7-4-3-5-8-14)22-20(26-13)15-9-6-10-16(25-2)18(15)23/h3-10,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyMDKMSZUTNDZRQG-UHFFFAOYSA-N
XLogP3.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 139590041) is 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NCCc3ccccc3)c(C)o2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MDKMSZUTNDZRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-17(19(24)21-12-11-14-7-4-3-5-8-14)22-20(26-13)15-9-6-10-16(25-2)18(15)23/h3-10,23H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139590041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).