(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

C17H23N3O2 — CID 95326252

IUPAC(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N3O2/c1-14(21)11-19-7-9-20(10-8-19)12-16-13-22-17(18-16)15-5-3-2-4-6-15/h2-6,13-14,21H,7-12H2,1H3/t14-/m0/s1
InChIKeyRSOHZBBYAXJVRM-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.84
Rot. Bonds5

About (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95326252) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95326252
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N3O2/c1-14(21)11-19-7-9-20(10-8-19)12-16-13-22-17(18-16)15-5-3-2-4-6-15/h2-6,13-14,21H,7-12H2,1H3/t14-/m0/s1
InChIKeyRSOHZBBYAXJVRM-AWEZNQCLSA-N
XLogP1.84
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74231613
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
1-[5-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90652099
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553855
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166136017
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452
[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 78857527
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 56672810

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95326252) is (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(Cc2coc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is RSOHZBBYAXJVRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14(21)11-19-7-9-20(10-8-19)12-16-13-22-17(18-16)15-5-3-2-4-6-15/h2-6,13-14,21H,7-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95326252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).