[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C19H24N4O3 — CID 93074923

IUPAC[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)no1
InChIInChI=1S/C19H24N4O3/c1-2-17-20-18(21-26-17)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(24)16-4-3-13-25-16/h5-8,16H,2-4,9-13H2,1H3/t16-/m0/s1
InChIKeyTXZQLWBUUWGURG-INIZCTEOSA-N
MW356.43 g/mol
LogP2.13
Rot. Bonds4

About [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 93074923) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID93074923
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)no1
InChIInChI=1S/C19H24N4O3/c1-2-17-20-18(21-26-17)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(24)16-4-3-13-25-16/h5-8,16H,2-4,9-13H2,1H3/t16-/m0/s1
InChIKeyTXZQLWBUUWGURG-INIZCTEOSA-N
XLogP2.13
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55406914
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 93077111
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 50780340
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
methyl 4-[[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780390
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 93074923) is [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2)no1.
What is the InChIKey of [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is TXZQLWBUUWGURG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-17-20-18(21-26-17)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(24)16-4-3-13-25-16/h5-8,16H,2-4,9-13H2,1H3/t16-/m0/s1.
What are the key properties of [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 93074923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).