(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one

C17H11Cl2NO4S — CID 70687587

IUPAC(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)OC2=S)cc1
InChIInChI=1S/C17H11Cl2NO4S/c1-23-11-4-2-10(3-5-11)20-16(22)14(24-17(20)25)8-9-6-12(18)15(21)13(19)7-9/h2-8,21H,1H3/b14-8-
InChIKeyACBVTTLMNAZPEA-ZSOIEALJSA-N
MW396.25 g/mol
LogP4.40
Rot. Bonds3

About (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one

(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 70687587) has the molecular formula C17H11Cl2NO4S and a molecular weight of 396.25 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID70687587
Molecular FormulaC17H11Cl2NO4S
Molecular Weight396.25 g/mol
Exact Mass394.98
IUPAC Name(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)OC2=S)cc1
InChIInChI=1S/C17H11Cl2NO4S/c1-23-11-4-2-10(3-5-11)20-16(22)14(24-17(20)25)8-9-6-12(18)15(21)13(19)7-9/h2-8,21H,1H3/b14-8-
InChIKeyACBVTTLMNAZPEA-ZSOIEALJSA-N
XLogP4.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-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

5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(6-methoxy-3-pyridinyl)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 75599513
(5E)-5-[(5-hydroxy-2-pyridinyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 51002179
methyl 2-[(5Z)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126065440
(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 51002177
(5E)-5-[(3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2259996
(5Z)-3-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191001
(5E)-3-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191002
(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 51002129
methyl 2-[(5Z)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126068465
5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1316330
5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5349984
2-[2-chloro-4-[[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 1020666

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one (CID 70687587) is (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one is COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)OC2=S)cc1.
What is the InChIKey of (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is ACBVTTLMNAZPEA-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H11Cl2NO4S/c1-23-11-4-2-10(3-5-11)20-16(22)14(24-17(20)25)8-9-6-12(18)15(21)13(19)7-9/h2-8,21H,1H3/b14-8-.
What are the key properties of (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one?
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 396.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 70687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).