[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

C19H18N2O5S — CID 8641032

IUPAC[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOc1ccc(-c2noc(COC(=O)/C=C/c3ccc(C)s3)n2)c(OC)c1
InChIInChI=1S/C19H18N2O5S/c1-12-4-6-14(27-12)7-9-18(22)25-11-17-20-19(21-26-17)15-8-5-13(23-2)10-16(15)24-3/h4-10H,11H2,1-3H3/b9-7+
InChIKeyBGJLTEAIBQUMAP-VQHVLOKHSA-N
MW386.43 g/mol
LogP3.88
Rot. Bonds7

About [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate (PubChem CID 8641032) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
PubChem CID8641032
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOc1ccc(-c2noc(COC(=O)/C=C/c3ccc(C)s3)n2)c(OC)c1
InChIInChI=1S/C19H18N2O5S/c1-12-4-6-14(27-12)7-9-18(22)25-11-17-20-19(21-26-17)15-8-5-13(23-2)10-16(15)24-3/h4-10H,11H2,1-3H3/b9-7+
InChIKeyBGJLTEAIBQUMAP-VQHVLOKHSA-N
XLogP3.88
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate 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

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-thiophen-3-ylacetate
CID 9417383
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 16563810
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9477075
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl thiophene-2-carboxylate
CID 9417998
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-benzothiophene-2-carboxylate
CID 8835258
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-tert-butylbenzoate
CID 55390781
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohexanecarboxylate
CID 9416190
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384943
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402901
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 16596084
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 55425603

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The IUPAC name of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate (CID 8641032) is [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate is COc1ccc(-c2noc(COC(=O)/C=C/c3ccc(C)s3)n2)c(OC)c1.
What is the InChIKey of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The InChIKey is BGJLTEAIBQUMAP-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-12-4-6-14(27-12)7-9-18(22)25-11-17-20-19(21-26-17)15-8-5-13(23-2)10-16(15)24-3/h4-10H,11H2,1-3H3/b9-7+.
What are the key properties of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate has a molecular weight of 386.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 8641032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).