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

C18H16N2O3S2 — CID 46260757

IUPACmethyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(C)cc2n1Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C18H16N2O3S2/c1-10-7-13-16(25-10)8-14(18(21)22-3)20(13)9-12-11(2)23-17(19-12)15-5-4-6-24-15/h4-8H,9H2,1-3H3
InChIKeyVCKAOROKPRXARR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds4

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

methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 46260757) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID46260757
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Namemethyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(C)cc2n1Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C18H16N2O3S2/c1-10-7-13-16(25-10)8-14(18(21)22-3)20(13)9-12-11(2)23-17(19-12)15-5-4-6-24-15/h4-8H,9H2,1-3H3
InChIKeyVCKAOROKPRXARR-UHFFFAOYSA-N
XLogP4.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 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) is methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sc(C)cc2n1Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is VCKAOROKPRXARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-10-7-13-16(25-10)8-14(18(21)22-3)20(13)9-12-11(2)23-17(19-12)15-5-4-6-24-15/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 46260757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).