2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

C18H20ClN5O2 — CID 110419820

IUPAC2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCc1nnc(N2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)o1
InChIInChI=1S/C18H20ClN5O2/c1-2-16-21-22-18(26-16)24-7-5-23(6-8-24)17(25)9-12-11-20-15-4-3-13(19)10-14(12)15/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyBSEAPNZQVWSJCO-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.66
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 110419820) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID110419820
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCc1nnc(N2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)o1
InChIInChI=1S/C18H20ClN5O2/c1-2-16-21-22-18(26-16)24-7-5-23(6-8-24)17(25)9-12-11-20-15-4-3-13(19)10-14(12)15/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyBSEAPNZQVWSJCO-UHFFFAOYSA-N
XLogP2.66
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
2-(5-chloro-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 110620099
2-(5-chloro-1H-indol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110413074
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
2-(4-chlorophenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110603136
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (CID 110419820) is 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is CCc1nnc(N2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)o1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BSEAPNZQVWSJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-2-16-21-22-18(26-16)24-7-5-23(6-8-24)17(25)9-12-11-20-15-4-3-13(19)10-14(12)15/h3-4,10-11,20H,2,5-9H2,1H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 373.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110419820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).