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

C18H16N2O4 — CID 17252840

IUPACN-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1
InChIInChI=1S/C18H16N2O4/c1-11-3-8-16(21)14(9-11)19-18(22)15-10-17(24-20-15)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,22)
InChIKeyDANHZYLOKLJHOH-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.62
Rot. Bonds4

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

N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252840) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17252840
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1
InChIInChI=1S/C18H16N2O4/c1-11-3-8-16(21)14(9-11)19-18(22)15-10-17(24-20-15)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,22)
InChIKeyDANHZYLOKLJHOH-UHFFFAOYSA-N
XLogP3.62
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)isoxazole-3-carboxamide
CID 15988802
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
N-(2-hydroxyphenyl)-2-(3-methyl-5-isoxazolyl)benzamide
CID 2815026
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-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016616
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617
N-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5017077

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 17252840) is N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DANHZYLOKLJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-3-8-16(21)14(9-11)19-18(22)15-10-17(24-20-15)12-4-6-13(23-2)7-5-12/h3-10,21H,1-2H3,(H,19,22).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).