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

C18H16N2O3 — CID 1093763

IUPACN-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)17-10-15(20-23-17)18(22)19-14-9-12(2)5-8-16(14)21/h3-10,21H,1-2H3,(H,19,22)
InChIKeyGPAPABJHPJFVOQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.92
Rot. Bonds3

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

N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093763) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093763
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)17-10-15(20-23-17)18(22)19-14-9-12(2)5-8-16(14)21/h3-10,21H,1-2H3,(H,19,22)
InChIKeyGPAPABJHPJFVOQ-UHFFFAOYSA-N
XLogP3.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093763) is N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GPAPABJHPJFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)17-10-15(20-23-17)18(22)19-14-9-12(2)5-8-16(14)21/h3-10,21H,1-2H3,(H,19,22).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).