1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol

C16H21N3O3 — CID 137340212

IUPAC1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3O3/c20-11-14(21)12-6-8-19(9-7-12)10-15-17-16(22-18-15)13-4-2-1-3-5-13/h1-5,12,14,20-21H,6-11H2
InChIKeyYLWAWAOFPDWJPK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.30
Rot. Bonds5

About 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 137340212) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID137340212
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N3O3/c20-11-14(21)12-6-8-19(9-7-12)10-15-17-16(22-18-15)13-4-2-1-3-5-13/h1-5,12,14,20-21H,6-11H2
InChIKeyYLWAWAOFPDWJPK-UHFFFAOYSA-N
XLogP1.30
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol (CID 137340212) is 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(Cc2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is YLWAWAOFPDWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-11-14(21)12-6-8-19(9-7-12)10-15-17-16(22-18-15)13-4-2-1-3-5-13/h1-5,12,14,20-21H,6-11H2.
What are the key properties of 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 303.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137340212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).