2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol

C9H14N2O2 — CID 82407800

IUPAC2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol
SMILESCc1ncc(C2NCCCC2O)o1
InChIInChI=1S/C9H14N2O2/c1-6-11-5-8(13-6)9-7(12)3-2-4-10-9/h5,7,9-10,12H,2-4H2,1H3
InChIKeyBPXIEFSVKJXVQM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds1

About 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol

2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol (PubChem CID 82407800) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol
PubChem CID82407800
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol
SMILESCc1ncc(C2NCCCC2O)o1
InChIInChI=1S/C9H14N2O2/c1-6-11-5-8(13-6)9-7(12)3-2-4-10-9/h5,7,9-10,12H,2-4H2,1H3
InChIKeyBPXIEFSVKJXVQM-UHFFFAOYSA-N
XLogP0.77
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol?
The IUPAC name of 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol (CID 82407800) is 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol?
The canonical SMILES for 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol is Cc1ncc(C2NCCCC2O)o1.
What is the InChIKey of 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol?
The InChIKey is BPXIEFSVKJXVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-11-5-8(13-6)9-7(12)3-2-4-10-9/h5,7,9-10,12H,2-4H2,1H3.
What are the key properties of 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol?
2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol has a molecular weight of 182.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-oxazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 82407800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).