(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one

C18H17NO5S — CID 118375320

IUPAC(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3OC)o2)OC1=S
InChIInChI=1S/C18H17NO5S/c1-4-19-17(20)16(24-18(19)25)10-12-6-8-14(23-12)13-7-5-11(21-2)9-15(13)22-3/h5-10H,4H2,1-3H3/b16-10-
InChIKeyIHGBDMNYCYXJIZ-YBEGLDIGSA-N
MW359.40 g/mol
LogP3.47
Rot. Bonds5

About (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one

(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 118375320) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID118375320
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3OC)o2)OC1=S
InChIInChI=1S/C18H17NO5S/c1-4-19-17(20)16(24-18(19)25)10-12-6-8-14(23-12)13-7-5-11(21-2)9-15(13)22-3/h5-10H,4H2,1-3H3/b16-10-
InChIKeyIHGBDMNYCYXJIZ-YBEGLDIGSA-N
XLogP3.47
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58785606
3-ethyl-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazolidin-4-one
CID 72562648
3-ethyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58998555
2-[[5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid
CID 87469021
(5Z)-5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650638
(5E)-5-[(3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2259996
2-[(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 23474847
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-1-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126114135
(5E)-3-ethyl-5-[(9-oxofluoren-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2187239
5-[[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one;5-[[5-(2,5-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one;5-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one;3-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methylidene]-5-sulfanylidenepyrrolidin-2-one;[5-[5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]furan-2-yl]-2-methylphenyl]-methyl-oxoazanium;5-[[5-[3-(hydroxymethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 161066036
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2164402
methyl 4-[5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-3-methylbenzoate
CID 126376200

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 118375320) is (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3OC)o2)OC1=S.
What is the InChIKey of (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is IHGBDMNYCYXJIZ-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-4-19-17(20)16(24-18(19)25)10-12-6-8-14(23-12)13-7-5-11(21-2)9-15(13)22-3/h5-10H,4H2,1-3H3/b16-10-.
What are the key properties of (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
(5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 359.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-dimethoxyphenyl)furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 118375320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).