1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol

C19H27N3O2 — CID 111476430

IUPAC1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(C)cc(C(O)CN2CCN(Cc3cc(C)on3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-14-8-15(2)10-17(9-14)19(23)13-22-6-4-21(5-7-22)12-18-11-16(3)24-20-18/h8-11,19,23H,4-7,12-13H2,1-3H3
InChIKeyGYNBTBGXASMJGU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.45
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol

1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 111476430) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
PubChem CID111476430
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cc(C)cc(C(O)CN2CCN(Cc3cc(C)on3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-14-8-15(2)10-17(9-14)19(23)13-22-6-4-21(5-7-22)12-18-11-16(3)24-20-18/h8-11,19,23H,4-7,12-13H2,1-3H3
InChIKeyGYNBTBGXASMJGU-UHFFFAOYSA-N
XLogP2.45
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827755
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111378606

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol (CID 111476430) is 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol is Cc1cc(C)cc(C(O)CN2CCN(Cc3cc(C)on3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is GYNBTBGXASMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-8-15(2)10-17(9-14)19(23)13-22-6-4-21(5-7-22)12-18-11-16(3)24-20-18/h8-11,19,23H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol?
1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 111476430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).