2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol

C17H18N4O3 — CID 136563178

IUPAC2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(CN2CCC(c3ncco3)CC2)o1
InChIInChI=1S/C17H18N4O3/c22-14-4-2-1-3-13(14)17-20-19-15(24-17)11-21-8-5-12(6-9-21)16-18-7-10-23-16/h1-4,7,10,12,22H,5-6,8-9,11H2
InChIKeyGLUZHMQGQNLEOU-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.81
Rot. Bonds4

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

2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 136563178) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol
PubChem CID136563178
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(CN2CCC(c3ncco3)CC2)o1
InChIInChI=1S/C17H18N4O3/c22-14-4-2-1-3-13(14)17-20-19-15(24-17)11-21-8-5-12(6-9-21)16-18-7-10-23-16/h1-4,7,10,12,22H,5-6,8-9,11H2
InChIKeyGLUZHMQGQNLEOU-UHFFFAOYSA-N
XLogP2.81
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol (CID 136563178) is 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(CN2CCC(c3ncco3)CC2)o1.
What is the InChIKey of 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is GLUZHMQGQNLEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-14-4-2-1-3-13(14)17-20-19-15(24-17)11-21-8-5-12(6-9-21)16-18-7-10-23-16/h1-4,7,10,12,22H,5-6,8-9,11H2.
What are the key properties of 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol?
2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 326.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 136563178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).