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

C18H15IN2O3S — CID 3656376

IUPAC2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2I)=NC1=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H15IN2O3S/c19-14-4-2-1-3-13(14)17-20-15(18(22)24-17)11-12-5-6-16(25-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2
InChIKeySIDCKGUCISTZQI-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.53
Rot. Bonds3

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

2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 3656376) has the molecular formula C18H15IN2O3S and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID3656376
Molecular FormulaC18H15IN2O3S
Molecular Weight466.30 g/mol
Exact Mass465.98
IUPAC Name2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2I)=NC1=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H15IN2O3S/c19-14-4-2-1-3-13(14)17-20-15(18(22)24-17)11-12-5-6-16(25-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2
InChIKeySIDCKGUCISTZQI-UHFFFAOYSA-N
XLogP3.53
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(4-bromophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 93030798
2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 3692189
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 19664025
4-[(3,4-dichlorophenyl)methylidene]-2-(2-iodophenyl)-1,3-oxazol-5-one
CID 2826184
(4Z)-2-(3-methylphenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]isoquinoline-1,3-dione
CID 2432201
(4Z)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
CID 172568029
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
CID 8980480
(3E)-2-(2-hydroxyethyl)-3-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 42571718
(4E)-2-(2-iodophenyl)-4-[[4-(4-methyl-3H-1,2,4-triazol-2-yl)phenyl]methylidene]-1,3-oxazol-5-one
CID 155172274
2-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 4810518
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5407066

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one (CID 3656376) is 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2I)=NC1=Cc1ccc(N2CCOCC2)s1.
What is the InChIKey of 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is SIDCKGUCISTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O3S/c19-14-4-2-1-3-13(14)17-20-15(18(22)24-17)11-12-5-6-16(25-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2.
What are the key properties of 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one?
2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 466.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3656376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).