2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol

C18H25FN4O2 — CID 146130491

IUPAC2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol
SMILESCc1ccc(-c2noc(CN3C[C@@H](C)N(CCO)[C@@H](C)C3)n2)cc1F
InChIInChI=1S/C18H25FN4O2/c1-12-4-5-15(8-16(12)19)18-20-17(25-21-18)11-22-9-13(2)23(6-7-24)14(3)10-22/h4-5,8,13-14,24H,6-7,9-11H2,1-3H3/t13-,14+
InChIKeyCDDFAVLPUCQJBU-OKILXGFUSA-N
MW348.42 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol

2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol (PubChem CID 146130491) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol
PubChem CID146130491
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol
SMILESCc1ccc(-c2noc(CN3C[C@@H](C)N(CCO)[C@@H](C)C3)n2)cc1F
InChIInChI=1S/C18H25FN4O2/c1-12-4-5-15(8-16(12)19)18-20-17(25-21-18)11-22-9-13(2)23(6-7-24)14(3)10-22/h4-5,8,13-14,24H,6-7,9-11H2,1-3H3/t13-,14+
InChIKeyCDDFAVLPUCQJBU-OKILXGFUSA-N
XLogP2.07
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 98798837
3-(3-fluoro-4-methylphenyl)-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 51081883
(3S)-1-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 94162950
1-[(2R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95345425
1-(azepan-1-yl)-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55511207
[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 134007172
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
3-(3-fluoro-4-methylphenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015618
N-cyclopropyl-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46512485
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63345348
3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
CID 95353156

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol (CID 146130491) is 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol is Cc1ccc(-c2noc(CN3C[C@@H](C)N(CCO)[C@@H](C)C3)n2)cc1F.
What is the InChIKey of 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol?
The InChIKey is CDDFAVLPUCQJBU-OKILXGFUSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-12-4-5-15(8-16(12)19)18-20-17(25-21-18)11-22-9-13(2)23(6-7-24)14(3)10-22/h4-5,8,13-14,24H,6-7,9-11H2,1-3H3/t13-,14+.
What are the key properties of 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol?
2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol has a molecular weight of 348.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylpiperazin-1-yl]ethanol is sourced from PubChem (CID 146130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).