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

C18H17N3O2 — CID 5387192

IUPAC(4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccc(N)cc3)OC2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-9-3-12(4-10-15)11-16-18(22)23-17(20-16)13-5-7-14(19)8-6-13/h3-11H,19H2,1-2H3/b16-11-
InChIKeyZYMFONSCOMKYTL-WJDWOHSUSA-N
MW307.35 g/mol
LogP2.68
Rot. Bonds3

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

(4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 5387192) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID5387192
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(c3ccc(N)cc3)OC2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-9-3-12(4-10-15)11-16-18(22)23-17(20-16)13-5-7-14(19)8-6-13/h3-11H,19H2,1-2H3/b16-11-
InChIKeyZYMFONSCOMKYTL-WJDWOHSUSA-N
XLogP2.68
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(Dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
CID 284644
4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 708358
(4E)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 71583980
(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
(3Z)-3-{[4-(Dimethylamino)phenyl]methylidene}-5-phenyl-2,3-dihydrofuran-2-one
CID 5345692
2-Oxazolin-5-one, 4-[p-(dimethylamino)benzylidene]-2-phenyl-
CID 791548
Zinc02878937
CID 2230972
2-Oxazolin-5-one, 4-(p-((2-chloroethyl)(2-fluoroethyl)amino)benzylidene)-2-phenyl-
CID 6438256
4-{[4-(Dimethylamino)phenyl]methylene}-2-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 722568
4-[4-(dimethylamino)benzylidene]-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one
CID 745514

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one (CID 5387192) is (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one is CN(C)c1ccc(/C=C2\N=C(c3ccc(N)cc3)OC2=O)cc1.
What is the InChIKey of (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is ZYMFONSCOMKYTL-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)15-9-3-12(4-10-15)11-16-18(22)23-17(20-16)13-5-7-14(19)8-6-13/h3-11H,19H2,1-2H3/b16-11-.
What are the key properties of (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 307.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5387192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).