(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide

C18H17N3O3 — CID 45049213

IUPAC(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(/C=C1/OCCN1C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16(19-14-7-3-1-4-8-14)13-17-21(11-12-24-17)18(23)20-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,23)/b17-13+
InChIKeyRTAHHRRUGKXYIZ-GHRIWEEISA-N
MW323.35 g/mol
LogP3.03
Rot. Bonds3

About (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide

(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 45049213) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
PubChem CID45049213
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(/C=C1/OCCN1C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-16(19-14-7-3-1-4-8-14)13-17-21(11-12-24-17)18(23)20-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,23)/b17-13+
InChIKeyRTAHHRRUGKXYIZ-GHRIWEEISA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide (CID 45049213) is (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide is O=C(/C=C1/OCCN1C(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is RTAHHRRUGKXYIZ-GHRIWEEISA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16(19-14-7-3-1-4-8-14)13-17-21(11-12-24-17)18(23)20-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,23)/b17-13+.
What are the key properties of (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
(2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-anilino-2-oxoethylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 45049213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).