4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole

C80H62Cl2F2N6O5 — CID 126495200

IUPAC4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESCOc1cc(-c2cc(Cl)cc(-c3oc(CCCc4c[nH]c5ccccc45)nc3-c3cc(Cl)cc(-c4cc(-c5oc(CCCc6c[nH]c7ccccc67)nc5-c5ccc(F)cc5)ccc4F)c3)c2)cc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1
InChIInChI=1S/C80H62Cl2F2N6O5/c1-91-62-17-9-13-48(40-62)78-77(90-73(93-78)25-11-15-51-45-86-70-22-7-4-19-65(51)70)57-33-54(41-63(42-57)92-2)53-34-58(39-59(81)36-53)80-76(89-74(95-80)26-12-16-52-46-87-71-23-8-5-20-66(52)71)56-35-55(37-60(82)38-56)67-43-49(29-32-68(67)84)79-75(47-27-30-61(83)31-28-47)88-72(94-79)24-10-14-50-44-85-69-21-6-3-18-64(50)69/h3-9,13,17-23,27-46,85-87H,10-12,14-16,24-26H2,1-2H3
InChIKeyRPSCSCQRWWQPEM-UHFFFAOYSA-N
MW1296.31 g/mol
LogP21.56
Rot. Bonds22

About 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole

4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (PubChem CID 126495200) has the molecular formula C80H62Cl2F2N6O5 and a molecular weight of 1296.31 g/mol. Its IUPAC name is 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
PubChem CID126495200
Molecular FormulaC80H62Cl2F2N6O5
Molecular Weight1296.31 g/mol
Exact Mass1294.41
IUPAC Name4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESCOc1cc(-c2cc(Cl)cc(-c3oc(CCCc4c[nH]c5ccccc45)nc3-c3cc(Cl)cc(-c4cc(-c5oc(CCCc6c[nH]c7ccccc67)nc5-c5ccc(F)cc5)ccc4F)c3)c2)cc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1
InChIInChI=1S/C80H62Cl2F2N6O5/c1-91-62-17-9-13-48(40-62)78-77(90-73(93-78)25-11-15-51-45-86-70-22-7-4-19-65(51)70)57-33-54(41-63(42-57)92-2)53-34-58(39-59(81)36-53)80-76(89-74(95-80)26-12-16-52-46-87-71-23-8-5-20-66(52)71)56-35-55(37-60(82)38-56)67-43-49(29-32-68(67)84)79-75(47-27-30-61(83)31-28-47)88-72(94-79)24-10-14-50-44-85-69-21-6-3-18-64(50)69/h3-9,13,17-23,27-46,85-87H,10-12,14-16,24-26H2,1-2H3
InChIKeyRPSCSCQRWWQPEM-UHFFFAOYSA-N
XLogP21.56
TPSA143.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001296.31
LogP ≤ 521.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The IUPAC name of 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (CID 126495200) is 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.
What is the SMILES notation for 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The canonical SMILES for 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is COc1cc(-c2cc(Cl)cc(-c3oc(CCCc4c[nH]c5ccccc45)nc3-c3cc(Cl)cc(-c4cc(-c5oc(CCCc6c[nH]c7ccccc67)nc5-c5ccc(F)cc5)ccc4F)c3)c2)cc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1.
What is the InChIKey of 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The InChIKey is RPSCSCQRWWQPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62Cl2F2N6O5/c1-91-62-17-9-13-48(40-62)78-77(90-73(93-78)25-11-15-51-45-86-70-22-7-4-19-65(51)70)57-33-54(41-63(42-57)92-2)53-34-58(39-59(81)36-53)80-76(89-74(95-80)26-12-16-52-46-87-71-23-8-5-20-66(52)71)56-35-55(37-60(82)38-56)67-43-49(29-32-68(67)84)79-75(47-27-30-61(83)31-28-47)88-72(94-79)24-10-14-50-44-85-69-21-6-3-18-64(50)69/h3-9,13,17-23,27-46,85-87H,10-12,14-16,24-26H2,1-2H3.
What are the key properties of 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole has a molecular weight of 1296.31 g/mol, XLogP of 21.56, 22 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 126495200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).