2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole

C152H88N8O6S6 — CID 158597947

About 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole

2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole (PubChem CID 158597947) has the molecular formula C152H88N8O6S6 and a molecular weight of 2314.83 g/mol. Its IUPAC name is 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole
• PubChem CID: 158597947
• Molecular Formula: C152H88N8O6S6
• Molecular Weight: 2314.83 g/mol
• Exact Mass: 2312.52
• IUPAC Name: 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole
• SMILES: c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4c(cc23)sc2ccccc24)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4c(cc23)sc2ccccc24)c1
• InChI: InChI=1S/C38H22N2O3.C38H22N2O2S.C38H22N2OS2.C38H22N2S3/c2*1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-41-37)31-21-30-27-11-3-4-14-33(27)43-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-42-38;1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-42-37)31-21-30-27-11-3-4-14-33(27)41-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-43-38;1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-41-37)31-21-30-27-11-3-4-14-33(27)43-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-42-38/h4*1-22H
• InChIKey: HVGPWJCAAODLIK-UHFFFAOYSA-N
• XLogP: 44.96
• TPSA: 181.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2314.83
LogP ≤ 5	44.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole?

The IUPAC name of 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole (CID 158597947) is 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole.

What is the SMILES notation for 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole?

The canonical SMILES for 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole is c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2ncco2)cc(-c2c3ccccc3c(-c3cccc(-c4ncco4)c3)c3cc4c(cc23)sc2ccccc24)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4c(cc23)oc2ccccc24)c1.c1cc(-c2nccs2)cc(-c2c3ccccc3c(-c3cccc(-c4nccs4)c3)c3cc4c(cc23)sc2ccccc24)c1.

What is the InChIKey of 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole?

The InChIKey is HVGPWJCAAODLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O3.C38H22N2O2S.C38H22N2OS2.C38H22N2S3/c2*1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-41-37)31-21-30-27-11-3-4-14-33(27)43-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-42-38;1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-42-37)31-21-30-27-11-3-4-14-33(27)41-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-43-38;1-2-13-29-28(12-1)35(23-7-5-9-25(19-23)37-39-15-17-41-37)31-21-30-27-11-3-4-14-33(27)43-34(30)22-32(31)36(29)24-8-6-10-26(20-24)38-40-16-18-42-38/h4*1-22H.

What are the key properties of 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole?

2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole has a molecular weight of 2314.83 g/mol, XLogP of 44.96, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-oxazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-oxazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole;2-[3-[14-[3-(1,3-thiazol-2-yl)phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 158597947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).