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

C20H17ClN2O3 — CID 9312954

IUPAC(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-3-1-2-15(13-16)19-22-18(20(24)26-19)12-14-4-6-17(7-5-14)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2/b18-12-
InChIKeyNRKWNOMLFWYJBH-PDGQHHTCSA-N
MW368.82 g/mol
LogP3.52
Rot. Bonds3

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

(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 9312954) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID9312954
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-3-1-2-15(13-16)19-22-18(20(24)26-19)12-14-4-6-17(7-5-14)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2/b18-12-
InChIKeyNRKWNOMLFWYJBH-PDGQHHTCSA-N
XLogP3.52
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.52
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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Related Compounds

(4Z)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312801
2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 3692189
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9313372
(4E)-2-(4-hydroxyphenyl)-4-[[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]methylidene]-1,3-oxazol-5-one
CID 136846535
2-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2826490
4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
CID 26496649
2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2826478
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2689805
2-(3-chlorophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109497
(4E)-4-[(5-bromothiophen-3-yl)methylidene]-2-(3-chlorophenyl)-1,3-oxazol-5-one
CID 47024923
2-(3-chlorophenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one
CID 5172098
(4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937218

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one (CID 9312954) is (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is NRKWNOMLFWYJBH-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-3-1-2-15(13-16)19-22-18(20(24)26-19)12-14-4-6-17(7-5-14)23-8-10-25-11-9-23/h1-7,12-13H,8-11H2/b18-12-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 368.82 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 9312954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).