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

C19H27N3O2 — CID 98767261

IUPAC(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCN1C[C@H](C)O
InChIInChI=1S/C19H27N3O2/c1-3-18-13-21(9-10-22(18)11-15(2)23)12-17-14-24-19(20-17)16-7-5-4-6-8-16/h4-8,14-15,18,23H,3,9-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyAGGNZWWWWYSGIK-YJBOKZPZSA-N
MW329.44 g/mol
LogP2.62
Rot. Bonds6

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

(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 98767261) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID98767261
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCN1C[C@H](C)O
InChIInChI=1S/C19H27N3O2/c1-3-18-13-21(9-10-22(18)11-15(2)23)12-17-14-24-19(20-17)16-7-5-4-6-8-16/h4-8,14-15,18,23H,3,9-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyAGGNZWWWWYSGIK-YJBOKZPZSA-N
XLogP2.62
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2S)-2-ethyl-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-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95612257
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153578
(3R)-N-[(2S)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153579
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 98767261) is (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is CC[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCN1C[C@H](C)O.
What is the InChIKey of (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is AGGNZWWWWYSGIK-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-18-13-21(9-10-22(18)11-15(2)23)12-17-14-24-19(20-17)16-7-5-4-6-8-16/h4-8,14-15,18,23H,3,9-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98767261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).