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

C20H18N2O3 — CID 6042083

IUPAC(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O3/c23-20-18(21-19(25-20)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)22-10-12-24-13-11-22/h1-9,14H,10-13H2/b18-14-
InChIKeyAAKUTYZDGWMSBY-JXAWBTAJSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds3

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

(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 6042083) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID6042083
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O3/c23-20-18(21-19(25-20)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)22-10-12-24-13-11-22/h1-9,14H,10-13H2/b18-14-
InChIKeyAAKUTYZDGWMSBY-JXAWBTAJSA-N
XLogP2.87
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 6042083) is (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is AAKUTYZDGWMSBY-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-20-18(21-19(25-20)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)22-10-12-24-13-11-22/h1-9,14H,10-13H2/b18-14-.
What are the key properties of (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 334.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-morpholin-4-ylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 6042083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).