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

C20H18N2O3S — CID 20883426

IUPACmethyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C20H18N2O3S/c1-12-4-6-14(7-5-12)18-21-16(13(2)25-18)11-22-17(20(23)24-3)10-15-8-9-26-19(15)22/h4-10H,11H2,1-3H3
InChIKeyXTHPDUCJLQIPOQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.81
Rot. Bonds4

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

methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 20883426) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID20883426
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Namemethyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C20H18N2O3S/c1-12-4-6-14(7-5-12)18-21-16(13(2)25-18)11-22-17(20(23)24-3)10-15-8-9-26-19(15)22/h4-10H,11H2,1-3H3
InChIKeyXTHPDUCJLQIPOQ-UHFFFAOYSA-N
XLogP4.81
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 3244174
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 4-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxylate
CID 154765152
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 6487721
methyl 4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883217
methyl 6-[2-(2,5-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004760
methyl 5-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-2-methylbenzoate
CID 23076346
methyl 4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
CID 20955301

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 20883426) is methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is XTHPDUCJLQIPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-4-6-14(7-5-12)18-21-16(13(2)25-18)11-22-17(20(23)24-3)10-15-8-9-26-19(15)22/h4-10H,11H2,1-3H3.
What are the key properties of methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).