5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide

C33H22F2N4O5 — CID 86728296

IUPAC5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCOC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C33H22F2N4O5/c1-36-32(40)29-21-13-20(23-9-10-27-30(37-23)26-14-19-22(35)3-2-4-24(19)39(26)16-43-27)25(38-11-12-42-33(38)41)15-28(21)44-31(29)17-5-7-18(34)8-6-17/h2-10,13-15H,11-12,16H2,1H3,(H,36,40)
InChIKeyMNMPUQXSGNADCR-UHFFFAOYSA-N
MW592.56 g/mol
LogP6.73
Rot. Bonds4

About 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide

5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 86728296) has the molecular formula C33H22F2N4O5 and a molecular weight of 592.56 g/mol. Its IUPAC name is 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide
PubChem CID86728296
Molecular FormulaC33H22F2N4O5
Molecular Weight592.56 g/mol
Exact Mass592.16
IUPAC Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCOC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C33H22F2N4O5/c1-36-32(40)29-21-13-20(23-9-10-27-30(37-23)26-14-19-22(35)3-2-4-24(19)39(26)16-43-27)25(38-11-12-42-33(38)41)15-28(21)44-31(29)17-5-7-18(34)8-6-17/h2-10,13-15H,11-12,16H2,1H3,(H,36,40)
InChIKeyMNMPUQXSGNADCR-UHFFFAOYSA-N
XLogP6.73
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.56
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide (CID 86728296) is 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCOC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.
What is the InChIKey of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?
The InChIKey is MNMPUQXSGNADCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2N4O5/c1-36-32(40)29-21-13-20(23-9-10-27-30(37-23)26-14-19-22(35)3-2-4-24(19)39(26)16-43-27)25(38-11-12-42-33(38)41)15-28(21)44-31(29)17-5-7-18(34)8-6-17/h2-10,13-15H,11-12,16H2,1H3,(H,36,40).
What are the key properties of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide?
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 592.56 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86728296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).