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

C16H24N4O2 — CID 51104610

IUPAC2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(CN2CCC(c3ccnn3CCO)CC2)oc1C
InChIInChI=1S/C16H24N4O2/c1-12-13(2)22-16(18-12)11-19-7-4-14(5-8-19)15-3-6-17-20(15)9-10-21/h3,6,14,21H,4-5,7-11H2,1-2H3
InChIKeyAFOJQEAZVGVXSV-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.86
Rot. Bonds5

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

2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104610) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104610
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCc1nc(CN2CCC(c3ccnn3CCO)CC2)oc1C
InChIInChI=1S/C16H24N4O2/c1-12-13(2)22-16(18-12)11-19-7-4-14(5-8-19)15-3-6-17-20(15)9-10-21/h3,6,14,21H,4-5,7-11H2,1-2H3
InChIKeyAFOJQEAZVGVXSV-UHFFFAOYSA-N
XLogP1.86
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104610) is 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is Cc1nc(CN2CCC(c3ccnn3CCO)CC2)oc1C.
What is the InChIKey of 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is AFOJQEAZVGVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-13(2)22-16(18-12)11-19-7-4-14(5-8-19)15-3-6-17-20(15)9-10-21/h3,6,14,21H,4-5,7-11H2,1-2H3.
What are the key properties of 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).