methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate

C20H18N2O4S — CID 3236501

IUPACmethyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H18N2O4S/c1-12-16(21-18(26-12)13-4-6-15(24-2)7-5-13)11-22-17(20(23)25-3)10-14-8-9-27-19(14)22/h4-10H,11H2,1-3H3
InChIKeyJSUBQMSCJZKHGE-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.51
Rot. Bonds5

About methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 3236501) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID3236501
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Namemethyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H18N2O4S/c1-12-16(21-18(26-12)13-4-6-15(24-2)7-5-13)11-22-17(20(23)25-3)10-14-8-9-27-19(14)22/h4-10H,11H2,1-3H3
InChIKeyJSUBQMSCJZKHGE-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 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 3236501) is methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(OC)cc2)oc1C.
What is the InChIKey of methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is JSUBQMSCJZKHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-12-16(21-18(26-12)13-4-6-15(24-2)7-5-13)11-22-17(20(23)25-3)10-14-8-9-27-19(14)22/h4-10H,11H2,1-3H3.
What are the key properties of methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-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 6-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3236501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).