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

C11H18N2O2 — CID 47520510

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCCC(O)C2)oc1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3
InChIKeyLQQVESCIIRAFGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds2

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol (PubChem CID 47520510) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
PubChem CID47520510
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCCC(O)C2)oc1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3
InChIKeyLQQVESCIIRAFGM-UHFFFAOYSA-N
XLogP1.25
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol (CID 47520510) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol is Cc1nc(CN2CCCC(O)C2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is LQQVESCIIRAFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(2)15-11(12-8)7-13-5-3-4-10(14)6-13/h10,14H,3-7H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 47520510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).