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

C25H18Cl2N2O — CID 56651536

IUPAC5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(C)oc2-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H18Cl2N2O/c1-14-3-5-17(6-4-14)24-25(30-15(2)28-24)22-20-13-19(27)11-12-21(20)29-23(22)16-7-9-18(26)10-8-16/h3-13,29H,1-2H3
InChIKeyFEGRFNUOWDOUBO-UHFFFAOYSA-N
MW433.34 g/mol
LogP8.08
Rot. Bonds3

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

5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole (PubChem CID 56651536) has the molecular formula C25H18Cl2N2O and a molecular weight of 433.34 g/mol. Its IUPAC name is 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole
PubChem CID56651536
Molecular FormulaC25H18Cl2N2O
Molecular Weight433.34 g/mol
Exact Mass432.08
IUPAC Name5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(C)oc2-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H18Cl2N2O/c1-14-3-5-17(6-4-14)24-25(30-15(2)28-24)22-20-13-19(27)11-12-21(20)29-23(22)16-7-9-18(26)10-8-16/h3-13,29H,1-2H3
InChIKeyFEGRFNUOWDOUBO-UHFFFAOYSA-N
XLogP8.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole (CID 56651536) is 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(C)oc2-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole?
The InChIKey is FEGRFNUOWDOUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O/c1-14-3-5-17(6-4-14)24-25(30-15(2)28-24)22-20-13-19(27)11-12-21(20)29-23(22)16-7-9-18(26)10-8-16/h3-13,29H,1-2H3.
What are the key properties of 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole?
5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole has a molecular weight of 433.34 g/mol, XLogP of 8.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-2-methyl-4-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 56651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).