3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole

C19H15Cl2N3O — CID 19326477

IUPAC3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c20-13-8-9-15(16(21)10-13)19-23-18(25-24-19)7-3-4-12-11-22-17-6-2-1-5-14(12)17/h1-2,5-6,8-11,22H,3-4,7H2
InChIKeyXRUALUNNSSFLAR-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.70
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole (PubChem CID 19326477) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
PubChem CID19326477
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c20-13-8-9-15(16(21)10-13)19-23-18(25-24-19)7-3-4-12-11-22-17-6-2-1-5-14(12)17/h1-2,5-6,8-11,22H,3-4,7H2
InChIKeyXRUALUNNSSFLAR-UHFFFAOYSA-N
XLogP5.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 19326469
2-[5-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentyl]isoindole-1,3-dione
CID 19326552
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19330336
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111612479
5-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104110
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53032056
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole (CID 19326477) is 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole is Clc1ccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)c(Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is XRUALUNNSSFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-13-8-9-15(16(21)10-13)19-23-18(25-24-19)7-3-4-12-11-22-17-6-2-1-5-14(12)17/h1-2,5-6,8-11,22H,3-4,7H2.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 372.26 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).