4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole

C24H16Cl2N2O — CID 56650865

IUPAC4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2c(-c3cccc(Cl)c3)[nH]c3ccccc23)o1
InChIInChI=1S/C24H16Cl2N2O/c1-14-27-23(15-9-11-17(25)12-10-15)24(29-14)21-19-7-2-3-8-20(19)28-22(21)16-5-4-6-18(26)13-16/h2-13,28H,1H3
InChIKeySAPXOFPIEFNXSC-UHFFFAOYSA-N
MW419.31 g/mol
LogP7.77
Rot. Bonds3

About 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole

4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole (PubChem CID 56650865) has the molecular formula C24H16Cl2N2O and a molecular weight of 419.31 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole
PubChem CID56650865
Molecular FormulaC24H16Cl2N2O
Molecular Weight419.31 g/mol
Exact Mass418.06
IUPAC Name4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2c(-c3cccc(Cl)c3)[nH]c3ccccc23)o1
InChIInChI=1S/C24H16Cl2N2O/c1-14-27-23(15-9-11-17(25)12-10-15)24(29-14)21-19-7-2-3-8-20(19)28-22(21)16-5-4-6-18(26)13-16/h2-13,28H,1H3
InChIKeySAPXOFPIEFNXSC-UHFFFAOYSA-N
XLogP7.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole
CID 56651536
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
bis(9H-carbazole);1-chloro-3-phenylbenzene;1,3,5-triazine
CID 160708594
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 3114182
4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
CID 154926505
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
CID 135951794
3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
CID 102572070

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole (CID 56650865) is 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(Cl)cc2)c(-c2c(-c3cccc(Cl)c3)[nH]c3ccccc23)o1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole?
The InChIKey is SAPXOFPIEFNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O/c1-14-27-23(15-9-11-17(25)12-10-15)24(29-14)21-19-7-2-3-8-20(19)28-22(21)16-5-4-6-18(26)13-16/h2-13,28H,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole?
4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole has a molecular weight of 419.31 g/mol, XLogP of 7.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1H-indol-3-yl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56650865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).