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

C20H18N2O2 — CID 5293695

IUPAC(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H18N2O2/c23-20-18(19(21-24-20)16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2/b18-14-
InChIKeyKSUOKXLIYFROQQ-JXAWBTAJSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds3

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

(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 5293695) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID5293695
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H18N2O2/c23-20-18(19(21-24-20)16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2/b18-14-
InChIKeyKSUOKXLIYFROQQ-JXAWBTAJSA-N
XLogP3.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-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-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
(4E)-4-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 164668160
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
3-(4-bromophenyl)-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 4573635
4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 1352944
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3625719
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479
(4Z)-3-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one
CID 46704199
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21212299

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one (CID 5293695) is (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccc(N2CCCC2)cc1.
What is the InChIKey of (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is KSUOKXLIYFROQQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20-18(19(21-24-20)16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2/b18-14-.
What are the key properties of (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 318.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-phenyl-4-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 5293695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).