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

C18H15ClN2O3S — CID 3692189

IUPAC2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(10-13)17-20-15(18(22)24-17)11-14-4-5-16(25-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2
InChIKeyQWIUWCUCIKKDEZ-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.58
Rot. Bonds3

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

2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 3692189) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID3692189
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(10-13)17-20-15(18(22)24-17)11-14-4-5-16(25-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2
InChIKeyQWIUWCUCIKKDEZ-UHFFFAOYSA-N
XLogP3.58
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-(3-chlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312954
(4E)-2-(4-bromophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 93030798
2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 3656376
2-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2826490
(4E)-4-[(5-bromothiophen-3-yl)methylidene]-2-(3-chlorophenyl)-1,3-oxazol-5-one
CID 47024923
(4Z)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312801
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2689805
4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
CID 26496649
(4Z)-2-(3-bromophenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687387
2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2826478
(4E)-4-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 20831486
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (CID 3692189) is 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(N2CCOCC2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is QWIUWCUCIKKDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-13-3-1-2-12(10-13)17-20-15(18(22)24-17)11-14-4-5-16(25-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2.
What are the key properties of 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 374.85 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3692189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).