(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

C17H18N4O2 — CID 154783629

IUPAC(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2noc(-c3cnc4n3CCCC4)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(22)12-5-7-13(8-6-12)16-19-17(23-20-16)14-10-18-15-4-2-3-9-21(14)15/h5-8,10-11,22H,2-4,9H2,1H3/t11-/m1/s1
InChIKeyBSCQVCQXGCHJGW-LLVKDONJSA-N
MW310.36 g/mol
LogP2.99
Rot. Bonds3

About (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 154783629) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
PubChem CID154783629
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2noc(-c3cnc4n3CCCC4)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(22)12-5-7-13(8-6-12)16-19-17(23-20-16)14-10-18-15-4-2-3-9-21(14)15/h5-8,10-11,22H,2-4,9H2,1H3/t11-/m1/s1
InChIKeyBSCQVCQXGCHJGW-LLVKDONJSA-N
XLogP2.99
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 154783629) is (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is C[C@@H](O)c1ccc(-c2noc(-c3cnc4n3CCCC4)n2)cc1.
What is the InChIKey of (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The InChIKey is BSCQVCQXGCHJGW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(22)12-5-7-13(8-6-12)16-19-17(23-20-16)14-10-18-15-4-2-3-9-21(14)15/h5-8,10-11,22H,2-4,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
(1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 154783629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).