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

C15H27N3O2 — CID 95309121

IUPAC(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)on1
InChIInChI=1S/C15H27N3O2/c1-12-9-13(20-16-12)10-17-5-7-18(8-6-17)11-14(19)15(2,3)4/h9,14,19H,5-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyOIMHMAIYBGGDFQ-AWEZNQCLSA-N
MW281.40 g/mol
LogP1.51
Rot. Bonds4

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

(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (PubChem CID 95309121) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
PubChem CID95309121
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCc1cc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)on1
InChIInChI=1S/C15H27N3O2/c1-12-9-13(20-16-12)10-17-5-7-18(8-6-17)11-14(19)15(2,3)4/h9,14,19H,5-8,10-11H2,1-4H3/t14-/m0/s1
InChIKeyOIMHMAIYBGGDFQ-AWEZNQCLSA-N
XLogP1.51
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94032058
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95345252
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol (CID 95309121) is (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is Cc1cc(CN2CCN(C[C@H](O)C(C)(C)C)CC2)on1.
What is the InChIKey of (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is OIMHMAIYBGGDFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-9-13(20-16-12)10-17-5-7-18(8-6-17)11-14(19)15(2,3)4/h9,14,19H,5-8,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol?
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 95309121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).