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

C13H22N2O2 — CID 125493206

IUPAC2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
SMILESCc1oc(C[C@@H]2CCCCN2)nc1C(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-9-12(13(2,3)16)15-11(17-9)8-10-6-4-5-7-14-10/h10,14,16H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyZKUUHZHEHHYROL-JTQLQIEISA-N
MW238.33 g/mol
LogP1.90
Rot. Bonds3

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

2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 125493206) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
PubChem CID125493206
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
SMILESCc1oc(C[C@@H]2CCCCN2)nc1C(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-9-12(13(2,3)16)15-11(17-9)8-10-6-4-5-7-14-10/h10,14,16H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyZKUUHZHEHHYROL-JTQLQIEISA-N
XLogP1.90
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 105462186
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84784625
5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84782347
2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 115040962
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
CID 121378832
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol (CID 125493206) is 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol is Cc1oc(C[C@@H]2CCCCN2)nc1C(C)(C)O.
What is the InChIKey of 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is ZKUUHZHEHHYROL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-12(13(2,3)16)15-11(17-9)8-10-6-4-5-7-14-10/h10,14,16H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol?
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 125493206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).