(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol

C13H23N3O2 — CID 95602161

IUPAC(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)no1
InChIInChI=1S/C13H23N3O2/c1-10-7-15(4-5-16(10)8-11(2)17)9-13-6-12(3)18-14-13/h6,10-11,17H,4-5,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNKQONHMFOJZCGQ-GHMZBOCLSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds4

About (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95602161) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95602161
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)no1
InChIInChI=1S/C13H23N3O2/c1-10-7-15(4-5-16(10)8-11(2)17)9-13-6-12(3)18-14-13/h6,10-11,17H,4-5,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNKQONHMFOJZCGQ-GHMZBOCLSA-N
XLogP0.87
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
CID 95766441
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124730795
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827755
1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111476430

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95602161) is (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol is Cc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)no1.
What is the InChIKey of (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is NKQONHMFOJZCGQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-7-15(4-5-16(10)8-11(2)17)9-13-6-12(3)18-14-13/h6,10-11,17H,4-5,7-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95602161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).