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

C19H17N3O2 — CID 70677889

IUPAC2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O2/c1-13-20-21-19(24-13)17-12-22(18-6-4-3-5-16(17)18)11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyIFIAAXFEOHQVAD-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.06
Rot. Bonds4

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

2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 70677889) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID70677889
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O2/c1-13-20-21-19(24-13)17-12-22(18-6-4-3-5-16(17)18)11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyIFIAAXFEOHQVAD-UHFFFAOYSA-N
XLogP4.06
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole (CID 70677889) is 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole is COc1ccc(Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is IFIAAXFEOHQVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-20-21-19(24-13)17-12-22(18-6-4-3-5-16(17)18)11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 70677889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).