2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C23H23N5O2 — CID 53013374

IUPAC2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccc5)CC4)c3c2)o1
InChIInChI=1S/C23H23N5O2/c1-17-24-25-23(30-17)19-8-7-18-9-10-28(21(18)15-19)16-22(29)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3
InChIKeyNFKZUHUNUYSFDC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.35
Rot. Bonds4

About 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 53013374) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID53013374
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccc5)CC4)c3c2)o1
InChIInChI=1S/C23H23N5O2/c1-17-24-25-23(30-17)19-8-7-18-9-10-28(21(18)15-19)16-22(29)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3
InChIKeyNFKZUHUNUYSFDC-UHFFFAOYSA-N
XLogP3.35
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 53013374) is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ccccc5)CC4)c3c2)o1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is NFKZUHUNUYSFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-17-24-25-23(30-17)19-8-7-18-9-10-28(21(18)15-19)16-22(29)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 401.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53013374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).