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

C13H21N3O3 — CID 66336316

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H21N3O3/c1-10-8-14-19-11(10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3
InChIKeySLRCBWNRRAPDLH-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.51
Rot. Bonds3

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

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 66336316) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID66336316
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H21N3O3/c1-10-8-14-19-11(10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3
InChIKeySLRCBWNRRAPDLH-UHFFFAOYSA-N
XLogP0.51
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474
4-methyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 66336150
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 63657795
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 71984607
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 146121813
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 66334339
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656995
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 115875321
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (CID 66336316) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is Cc1cnoc1C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is SLRCBWNRRAPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-8-14-19-11(10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 66336316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).