N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane

C22H21N3O4 — CID 6603301

IUPACN-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane
SMILESC1COCCO1.Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H13N3O2.C4H8O2/c1-12-16(17(21-23-12)13-7-3-2-4-8-13)18(22)20-15-10-6-5-9-14(15)11-19;1-2-6-4-3-5-1/h2-10H,1H3,(H,20,22);1-4H2
InChIKeyCYCGZUNHYBYYFN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.81
Rot. Bonds3

About N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane

N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane (PubChem CID 6603301) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane
PubChem CID6603301
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane
SMILESC1COCCO1.Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H13N3O2.C4H8O2/c1-12-16(17(21-23-12)13-7-3-2-4-8-13)18(22)20-15-10-6-5-9-14(15)11-19;1-2-6-4-3-5-1/h2-10H,1H3,(H,20,22);1-4H2
InChIKeyCYCGZUNHYBYYFN-UHFFFAOYSA-N
XLogP3.81
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane?
The IUPAC name of N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane (CID 6603301) is N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane.
What is the SMILES notation for N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane?
The canonical SMILES for N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane is C1COCCO1.Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane?
The InChIKey is CYCGZUNHYBYYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2.C4H8O2/c1-12-16(17(21-23-12)13-7-3-2-4-8-13)18(22)20-15-10-6-5-9-14(15)11-19;1-2-6-4-3-5-1/h2-10H,1H3,(H,20,22);1-4H2.
What are the key properties of N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane?
N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane has a molecular weight of 391.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;1,4-dioxane is sourced from PubChem (CID 6603301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).