(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide

C19H19N3O3 — CID 134921402

IUPAC(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESC/C(C(=O)Nc1ccccc1)=C1/OCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-14(17(23)20-15-8-4-2-5-9-15)18-22(12-13-25-18)19(24)21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,24)/b18-14-
InChIKeyFJEYEDUACWYTTB-JXAWBTAJSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds3

About (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide

(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 134921402) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
PubChem CID134921402
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESC/C(C(=O)Nc1ccccc1)=C1/OCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-14(17(23)20-15-8-4-2-5-9-15)18-22(12-13-25-18)19(24)21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,24)/b18-14-
InChIKeyFJEYEDUACWYTTB-JXAWBTAJSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
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 (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide (CID 134921402) is (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide is C/C(C(=O)Nc1ccccc1)=C1/OCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is FJEYEDUACWYTTB-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(17(23)20-15-8-4-2-5-9-15)18-22(12-13-25-18)19(24)21-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,24)/b18-14-.
What are the key properties of (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide?
(2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-anilino-1-oxopropan-2-ylidene)-N-phenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 134921402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).