methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate

C20H18N2O4S — CID 3244174

IUPACmethyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sccc2n1Cc1nc(-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H18N2O4S/c1-12-15(21-19(26-12)13-4-6-14(24-2)7-5-13)11-22-16-8-9-27-18(16)10-17(22)20(23)25-3/h4-10H,11H2,1-3H3
InChIKeyWQMYBJRJJFUFTR-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.51
Rot. Bonds5

About methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate

methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 3244174) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID3244174
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Namemethyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sccc2n1Cc1nc(-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H18N2O4S/c1-12-15(21-19(26-12)13-4-6-14(24-2)7-5-13)11-22-16-8-9-27-18(16)10-17(22)20(23)25-3/h4-10H,11H2,1-3H3
InChIKeyWQMYBJRJJFUFTR-UHFFFAOYSA-N
XLogP4.51
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883426
methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 46260757
methyl 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 22575459
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883217
ethyl 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352968
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 14479955
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 22507101
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 3244174) is methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sccc2n1Cc1nc(-c2ccc(OC)cc2)oc1C.
What is the InChIKey of methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is WQMYBJRJJFUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-12-15(21-19(26-12)13-4-6-14(24-2)7-5-13)11-22-16-8-9-27-18(16)10-17(22)20(23)25-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 382.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3244174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).