(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone

C15H25N3O3 — CID 138997748

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C15H25N3O3/c1-10-8-17(9-15(4,5)20)6-7-18(10)14(19)13-11(2)16-21-12(13)3/h10,20H,6-9H2,1-5H3
InChIKeyAOAXEECKODLGSA-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.21
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone (PubChem CID 138997748) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
PubChem CID138997748
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C15H25N3O3/c1-10-8-17(9-15(4,5)20)6-7-18(10)14(19)13-11(2)16-21-12(13)3/h10,20H,6-9H2,1-5H3
InChIKeyAOAXEECKODLGSA-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
CID 86817502
3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 99788705
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421096
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780593
[(2S,4S)-1,2-dimethylpiperidin-4-yl]-[(2R)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
CID 124878299
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56905000

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone (CID 138997748) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCN(CC(C)(C)O)CC1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
The InChIKey is AOAXEECKODLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-8-17(9-15(4,5)20)6-7-18(10)14(19)13-11(2)16-21-12(13)3/h10,20H,6-9H2,1-5H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 138997748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).