2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol

C18H20N4O3 — CID 91650166

IUPAC2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
SMILESOCCOc1cncc(N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C18H20N4O3/c23-9-10-24-17-12-19-11-16(21-17)22-7-5-13(6-8-22)18-20-14-3-1-2-4-15(14)25-18/h1-4,11-13,23H,5-10H2
InChIKeyUZGKIYMUBVVAJQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.37
Rot. Bonds5

About 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol

2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol (PubChem CID 91650166) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
PubChem CID91650166
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
SMILESOCCOc1cncc(N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C18H20N4O3/c23-9-10-24-17-12-19-11-16(21-17)22-7-5-13(6-8-22)18-20-14-3-1-2-4-15(14)25-18/h1-4,11-13,23H,5-10H2
InChIKeyUZGKIYMUBVVAJQ-UHFFFAOYSA-N
XLogP2.37
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol?
The IUPAC name of 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol (CID 91650166) is 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol is OCCOc1cncc(N2CCC(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol?
The InChIKey is UZGKIYMUBVVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-9-10-24-17-12-19-11-16(21-17)22-7-5-13(6-8-22)18-20-14-3-1-2-4-15(14)25-18/h1-4,11-13,23H,5-10H2.
What are the key properties of 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol?
2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol has a molecular weight of 340.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol is sourced from PubChem (CID 91650166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).