2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole

C27H16Cl2N2O — CID 139215797

IUPAC2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc4ccc(-c5c[nH]c6cc(Cl)ccc56)cc4c3)o2)cc1
InChIInChI=1S/C27H16Cl2N2O/c28-21-7-5-17(6-8-21)26-15-31-27(32-26)19-4-2-16-1-3-18(11-20(16)12-19)24-14-30-25-13-22(29)9-10-23(24)25/h1-15,30H
InChIKeyXKXONBUOHIBUBC-UHFFFAOYSA-N
MW455.34 g/mol
LogP8.62
Rot. Bonds3

About 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole

2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 139215797) has the molecular formula C27H16Cl2N2O and a molecular weight of 455.34 g/mol. Its IUPAC name is 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole
PubChem CID139215797
Molecular FormulaC27H16Cl2N2O
Molecular Weight455.34 g/mol
Exact Mass454.06
IUPAC Name2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc4ccc(-c5c[nH]c6cc(Cl)ccc56)cc4c3)o2)cc1
InChIInChI=1S/C27H16Cl2N2O/c28-21-7-5-17(6-8-21)26-15-31-27(32-26)19-4-2-16-1-3-18(11-20(16)12-19)24-14-30-25-13-22(29)9-10-23(24)25/h1-15,30H
InChIKeyXKXONBUOHIBUBC-UHFFFAOYSA-N
XLogP8.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-(4-chlorophenyl)-2-[4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]naphthalen-1-yl]-1,3-oxazole
CID 59205808
6-chloro-2-(6-chloro-1H-indol-3-yl)-1H-indole
CID 177408697
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
CID 141221253
4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzonitrile
CID 624441
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline
CID 18729655
6-chloro-2-(5-chloro-1H-indol-3-yl)-3,1-benzoxazin-4-one
CID 137253999
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 141083060
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 22310206

Frequently Asked Questions

What is the IUPAC name of 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole (CID 139215797) is 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2cnc(-c3ccc4ccc(-c5c[nH]c6cc(Cl)ccc56)cc4c3)o2)cc1.
What is the InChIKey of 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is XKXONBUOHIBUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2N2O/c28-21-7-5-17(6-8-21)26-15-31-27(32-26)19-4-2-16-1-3-18(11-20(16)12-19)24-14-30-25-13-22(29)9-10-23(24)25/h1-15,30H.
What are the key properties of 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole?
2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 455.34 g/mol, XLogP of 8.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 139215797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).