2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole

C17H11Cl2N3O — CID 41160222

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESClc1ccc(Cn2c(-c3nnco3)cc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O/c18-13-6-5-12(14(19)8-13)9-22-15-4-2-1-3-11(15)7-16(22)17-21-20-10-23-17/h1-8,10H,9H2
InChIKeyJCPRRCYZQXSOKE-UHFFFAOYSA-N
MW344.20 g/mol
LogP5.05
Rot. Bonds3

About 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole

2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole (PubChem CID 41160222) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
PubChem CID41160222
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESClc1ccc(Cn2c(-c3nnco3)cc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3O/c18-13-6-5-12(14(19)8-13)9-22-15-4-2-1-3-11(15)7-16(22)17-21-20-10-23-17/h1-8,10H,9H2
InChIKeyJCPRRCYZQXSOKE-UHFFFAOYSA-N
XLogP5.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.20
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole (CID 41160222) is 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole is Clc1ccc(Cn2c(-c3nnco3)cc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is JCPRRCYZQXSOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c18-13-6-5-12(14(19)8-13)9-22-15-4-2-1-3-11(15)7-16(22)17-21-20-10-23-17/h1-8,10H,9H2.
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 344.20 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 41160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).