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

C18H13Cl2N3O — CID 18569336

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H13Cl2N3O/c1-11-21-22-18(24-11)17-8-12-4-2-3-5-16(12)23(17)10-13-6-7-14(19)9-15(13)20/h2-9H,10H2,1H3
InChIKeyWXJYQIKMIZRZDT-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.35
Rot. Bonds3

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

2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 18569336) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID18569336
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H13Cl2N3O/c1-11-21-22-18(24-11)17-8-12-4-2-3-5-16(12)23(17)10-13-6-7-14(19)9-15(13)20/h2-9H,10H2,1H3
InChIKeyWXJYQIKMIZRZDT-UHFFFAOYSA-N
XLogP5.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.35
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]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole (CID 18569336) is 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WXJYQIKMIZRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c1-11-21-22-18(24-11)17-8-12-4-2-3-5-16(12)23(17)10-13-6-7-14(19)9-15(13)20/h2-9H,10H2,1H3.
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 358.23 g/mol, XLogP of 5.35, 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]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 18569336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).