(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

C20H19N3O4 — CID 2230972

IUPAC(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-3-22(4-2)16-10-8-14(9-11-16)12-18-20(24)27-19(21-18)15-6-5-7-17(13-15)23(25)26/h5-13H,3-4H2,1-2H3/b18-12-
InChIKeySALGPPOYYMXZGI-PDGQHHTCSA-N
MW365.39 g/mol
LogP3.79
Rot. Bonds6

About (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one

(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one (PubChem CID 2230972) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
PubChem CID2230972
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
SMILESCCN(CC)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-3-22(4-2)16-10-8-14(9-11-16)12-18-20(24)27-19(21-18)15-6-5-7-17(13-15)23(25)26/h5-13H,3-4H2,1-2H3/b18-12-
InChIKeySALGPPOYYMXZGI-PDGQHHTCSA-N
XLogP3.79
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-Nitrobenzylidene)-2-phenyl-2-oxazolin-5-one
CID 1549989
(Z)-4-(2-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
CID 1550850
4-[3-(2-Nitro-phenyl)-allylidene]-2-phenyl-4H-oxazol-5-one
CID 5754840
4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 708358
5(4H)-Oxazolone, 4-[(4-nitrophenyl)methylene]-2-phenyl-
CID 230001
(Z)-4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
CID 1549990
(4Z)-4-(3-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
CID 5396086
(4z)-4-[4-(Dimethylamino)benzylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4h)-one
CID 746808
5(4H)-Oxazolone, 4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
CID 791549
4-[4-(dimethylamino)benzylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
CID 695983
4-(4-Methyl-benzylidene)-2-(4-nitro-phenyl)-4H-oxazol-5-one
CID 740212
2-Oxazolin-5-one, 4-[p-(dimethylamino)benzylidene]-2-phenyl-
CID 791548

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one (CID 2230972) is (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is CCN(CC)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one?
The InChIKey is SALGPPOYYMXZGI-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-22(4-2)16-10-8-14(9-11-16)12-18-20(24)27-19(21-18)15-6-5-7-17(13-15)23(25)26/h5-13H,3-4H2,1-2H3/b18-12-.
What are the key properties of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one?
(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one has a molecular weight of 365.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 2230972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).