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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole

C52H38Cl2F2N4O2 — CID 126495244

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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)c(-c3cc(Cl)cc(-c4nc(CCCc5c[nH]c6ccccc56)oc4-c4cccc(Cl)c4)c3)c2)cc1
InChIInChI=1S/C52H38Cl2F2N4O2/c53-38-11-5-8-32(25-38)51-50(60-48(61-51)17-7-10-35-30-58-46-15-4-2-13-42(35)46)37-24-36(26-39(54)27-37)43-28-33(20-23-44(43)56)52-49(31-18-21-40(55)22-19-31)59-47(62-52)16-6-9-34-29-57-45-14-3-1-12-41(34)45/h1-5,8,11-15,18-30,57-58H,6-7,9-10,16-17H2
InChIKeyPJXHJUCONJDFIS-UHFFFAOYSA-N
MW859.80 g/mol
LogP14.90
Rot. Bonds13

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-chlorophenyl)-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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (PubChem CID 126495244) has the molecular formula C52H38Cl2F2N4O2 and a molecular weight of 859.80 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-chlorophenyl)-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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
PubChem CID126495244
Molecular FormulaC52H38Cl2F2N4O2
Molecular Weight859.80 g/mol
Exact Mass858.23
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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)c(-c3cc(Cl)cc(-c4nc(CCCc5c[nH]c6ccccc56)oc4-c4cccc(Cl)c4)c3)c2)cc1
InChIInChI=1S/C52H38Cl2F2N4O2/c53-38-11-5-8-32(25-38)51-50(60-48(61-51)17-7-10-35-30-58-46-15-4-2-13-42(35)46)37-24-36(26-39(54)27-37)43-28-33(20-23-44(43)56)52-49(31-18-21-40(55)22-19-31)59-47(62-52)16-6-9-34-29-57-45-14-3-1-12-41(34)45/h1-5,8,11-15,18-30,57-58H,6-7,9-10,16-17H2
InChIKeyPJXHJUCONJDFIS-UHFFFAOYSA-N
XLogP14.90
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.80
LogP ≤ 514.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (CID 126495244) 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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is Fc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)c(-c3cc(Cl)cc(-c4nc(CCCc5c[nH]c6ccccc56)oc4-c4cccc(Cl)c4)c3)c2)cc1.
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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The InChIKey is PJXHJUCONJDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38Cl2F2N4O2/c53-38-11-5-8-32(25-38)51-50(60-48(61-51)17-7-10-35-30-58-46-15-4-2-13-42(35)46)37-24-36(26-39(54)27-37)43-28-33(20-23-44(43)56)52-49(31-18-21-40(55)22-19-31)59-47(62-52)16-6-9-34-29-57-45-14-3-1-12-41(34)45/h1-5,8,11-15,18-30,57-58H,6-7,9-10,16-17H2.
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-chlorophenyl)-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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole has a molecular weight of 859.80 g/mol, XLogP of 14.90, 13 rotatable bonds, 2 hydrogen bond donors, and 4 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-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 126495244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).