2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

C17H21FN4O3 — CID 129484617

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)cc1F
InChIInChI=1S/C17H21FN4O3/c1-11-19-17(25-20-11)14-10-22(7-6-21(14)2)16(23)9-12-4-5-15(24-3)13(18)8-12/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyOZUCZXMFBVDXRV-CQSZACIVSA-N
MW348.38 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 129484617) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID129484617
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)cc1F
InChIInChI=1S/C17H21FN4O3/c1-11-19-17(25-20-11)14-10-22(7-6-21(14)2)16(23)9-12-4-5-15(24-3)13(18)8-12/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyOZUCZXMFBVDXRV-CQSZACIVSA-N
XLogP1.58
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 128981752
3-(2-fluorophenoxy)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 129482755
2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 129484397
(4-chloro-2-fluorophenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484977
5-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128971167
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119634986
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 110741082
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
2-(3-fluoro-4-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538507

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (CID 129484617) is 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is OZUCZXMFBVDXRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11-19-17(25-20-11)14-10-22(7-6-21(14)2)16(23)9-12-4-5-15(24-3)13(18)8-12/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 348.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129484617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).