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

C19H15ClN2O4 — CID 15944836

IUPACmethyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-3-5-13(20)6-4-12)10-22-15-7-8-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
InChIKeyBUCLLCPBJCFVHI-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.69
Rot. Bonds4

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

methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 15944836) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID15944836
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Namemethyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1Cc1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-3-5-13(20)6-4-12)10-22-15-7-8-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
InChIKeyBUCLLCPBJCFVHI-UHFFFAOYSA-N
XLogP4.69
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 15944836) is methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1Cc1nc(-c2ccc(Cl)cc2)oc1C.
What is the InChIKey of methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BUCLLCPBJCFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-11-14(21-18(26-11)12-3-5-13(20)6-4-12)10-22-15-7-8-25-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 15944836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).