2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole

C34H24ClN5O — CID 155536535

IUPAC2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccc(Cl)cc45)cc3)o2)c2ccccc21
InChIInChI=1S/C34H24ClN5O/c1-40-19-28(24-7-3-5-9-31(24)40)34-39-38-33(41-34)21-12-10-20(11-13-21)32(26-17-36-29-8-4-2-6-23(26)29)27-18-37-30-15-14-22(35)16-25(27)30/h2-19,32,36-37H,1H3
InChIKeyXCHLWSXZDXNSJP-UHFFFAOYSA-N
MW554.05 g/mol
LogP8.69
Rot. Bonds5

About 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole

2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (PubChem CID 155536535) has the molecular formula C34H24ClN5O and a molecular weight of 554.05 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
PubChem CID155536535
Molecular FormulaC34H24ClN5O
Molecular Weight554.05 g/mol
Exact Mass553.17
IUPAC Name2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccc(Cl)cc45)cc3)o2)c2ccccc21
InChIInChI=1S/C34H24ClN5O/c1-40-19-28(24-7-3-5-9-31(24)40)34-39-38-33(41-34)21-12-10-20(11-13-21)32(26-17-36-29-8-4-2-6-23(26)29)27-18-37-30-15-14-22(35)16-25(27)30/h2-19,32,36-37H,1H3
InChIKeyXCHLWSXZDXNSJP-UHFFFAOYSA-N
XLogP8.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.05
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 2372534
2-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 145962950
2-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155535751
2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155807611
2-(4-chlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazole
CID 72204095
2-(3-chlorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazole
CID 72204096
2-(3-chlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazole
CID 72204097
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135966060
2-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 145960356
2-[5-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenol
CID 145960430
2-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 145960473
2-[4-[bis(5-chloro-1H-indol-3-yl)methyl]phenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 145960595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (CID 155536535) is 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccc(Cl)cc45)cc3)o2)c2ccccc21.
What is the InChIKey of 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The InChIKey is XCHLWSXZDXNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24ClN5O/c1-40-19-28(24-7-3-5-9-31(24)40)34-39-38-33(41-34)21-12-10-20(11-13-21)32(26-17-36-29-8-4-2-6-23(26)29)27-18-37-30-15-14-22(35)16-25(27)30/h2-19,32,36-37H,1H3.
What are the key properties of 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole has a molecular weight of 554.05 g/mol, XLogP of 8.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1H-indol-3-yl)-(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 155536535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).