(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide

C20H21N3O3 — CID 134873127

IUPAC(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)/C=C2\OCCN2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-3-7-16(8-4-14)21-18(24)13-19-23(11-12-26-19)20(25)22-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)/b19-13-
InChIKeyCMXROWQWZFZCDX-UYRXBGFRSA-N
MW351.41 g/mol
LogP3.65
Rot. Bonds3

About (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide

(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide (PubChem CID 134873127) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide
PubChem CID134873127
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)/C=C2\OCCN2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-3-7-16(8-4-14)21-18(24)13-19-23(11-12-26-19)20(25)22-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)/b19-13-
InChIKeyCMXROWQWZFZCDX-UYRXBGFRSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide (CID 134873127) is (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide is Cc1ccc(NC(=O)/C=C2\OCCN2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide?
The InChIKey is CMXROWQWZFZCDX-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-3-7-16(8-4-14)21-18(24)13-19-23(11-12-26-19)20(25)22-17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)/b19-13-.
What are the key properties of (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide?
(2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(4-methylanilino)-2-oxoethylidene]-N-(4-methylphenyl)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 134873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).