[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H25N3O3 — CID 95345252

IUPAC[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)no1
InChIInChI=1S/C15H25N3O3/c1-11-9-12(16-21-11)14(20)18-7-5-17(6-8-18)10-13(19)15(2,3)4/h9,13,19H,5-8,10H2,1-4H3/t13-/m1/s1
InChIKeySHQRSMXRQZFXBA-CYBMUJFWSA-N
MW295.38 g/mol
LogP1.15
Rot. Bonds3

About [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 95345252) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID95345252
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)no1
InChIInChI=1S/C15H25N3O3/c1-11-9-12(16-21-11)14(20)18-7-5-17(6-8-18)10-13(19)15(2,3)4/h9,13,19H,5-8,10H2,1-4H3/t13-/m1/s1
InChIKeySHQRSMXRQZFXBA-CYBMUJFWSA-N
XLogP1.15
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
CID 143166573
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 95309121
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
5-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95766439
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 95345252) is [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)no1.
What is the InChIKey of [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is SHQRSMXRQZFXBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-9-12(16-21-11)14(20)18-7-5-17(6-8-18)10-13(19)15(2,3)4/h9,13,19H,5-8,10H2,1-4H3/t13-/m1/s1.
What are the key properties of [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 95345252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).