(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one

C18H17NO5S — CID 18074329

IUPAC(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(C)s3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C18H17NO5S/c1-10-5-6-15(25-10)17-19-12(18(20)24-17)7-11-8-13(21-2)16(23-4)14(9-11)22-3/h5-9H,1-4H3/b12-7-
InChIKeyRDQAWAYKOJIGJJ-GHXNOFRVSA-N
MW359.40 g/mol
LogP3.43
Rot. Bonds5

About (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 18074329) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID18074329
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2\N=C(c3ccc(C)s3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C18H17NO5S/c1-10-5-6-15(25-10)17-19-12(18(20)24-17)7-11-8-13(21-2)16(23-4)14(9-11)22-3/h5-9H,1-4H3/b12-7-
InChIKeyRDQAWAYKOJIGJJ-GHXNOFRVSA-N
XLogP3.43
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-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

(4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 18074330
2-thiophen-2-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3441442
(4Z)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 35865177
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 2687109
2-(3-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1218979
(4E)-2-pyridin-4-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936738
(4Z)-2-(2-iodophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 22302549
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
(4E)-4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 1106447
(4Z)-2-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1270679
(4E)-2-(3-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1274161
(4Z)-2-(5-methylthiophen-2-yl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687166

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 18074329) is (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1cc(/C=C2\N=C(c3ccc(C)s3)OC2=O)cc(OC)c1OC.
What is the InChIKey of (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is RDQAWAYKOJIGJJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-10-5-6-15(25-10)17-19-12(18(20)24-17)7-11-8-13(21-2)16(23-4)14(9-11)22-3/h5-9H,1-4H3/b12-7-.
What are the key properties of (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 359.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 18074329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).