2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide

C18H17N3O3 — CID 134921502

IUPAC2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide
SMILESO=C(Nc1ccccc1)C(C(=O)Nc1ccccc1)=C1NCCO1
InChIInChI=1S/C18H17N3O3/c22-16(20-13-7-3-1-4-8-13)15(18-19-11-12-24-18)17(23)21-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,20,22)(H,21,23)
InChIKeyHZPSEVGLHGGREG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.10
Rot. Bonds4

About 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide

2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide (PubChem CID 134921502) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide
PubChem CID134921502
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide
SMILESO=C(Nc1ccccc1)C(C(=O)Nc1ccccc1)=C1NCCO1
InChIInChI=1S/C18H17N3O3/c22-16(20-13-7-3-1-4-8-13)15(18-19-11-12-24-18)17(23)21-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,20,22)(H,21,23)
InChIKeyHZPSEVGLHGGREG-UHFFFAOYSA-N
XLogP2.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide 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 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide?
The IUPAC name of 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide (CID 134921502) is 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide?
The canonical SMILES for 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide is O=C(Nc1ccccc1)C(C(=O)Nc1ccccc1)=C1NCCO1.
What is the InChIKey of 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide?
The InChIKey is HZPSEVGLHGGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16(20-13-7-3-1-4-8-13)15(18-19-11-12-24-18)17(23)21-14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,20,22)(H,21,23).
What are the key properties of 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide?
2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide has a molecular weight of 323.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-2-ylidene)-N,N'-diphenylpropanediamide is sourced from PubChem (CID 134921502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).