(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol

C9H14N2O2 — CID 138046457

IUPAC(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(C2CCNCC2)no1
InChIInChI=1S/C9H14N2O2/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2
InChIKeyFICFSHKTPFXGTP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.63
Rot. Bonds2

About (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol

(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol (PubChem CID 138046457) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
PubChem CID138046457
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(C2CCNCC2)no1
InChIInChI=1S/C9H14N2O2/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2
InChIKeyFICFSHKTPFXGTP-UHFFFAOYSA-N
XLogP0.63
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol (CID 138046457) is (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol is OCc1cc(C2CCNCC2)no1.
What is the InChIKey of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol?
The InChIKey is FICFSHKTPFXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2.
What are the key properties of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol?
(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 138046457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).