2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

C16H19N3O3 — CID 71453718

IUPAC2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1
InChIInChI=1S/C16H19N3O3/c20-2-1-12-5-16(22-19-12)11-3-13(8-17-6-11)21-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18,20H,1-2,4,7,9H2/t10-,14-,15+/m0/s1
InChIKeyLSVKCPQHAJJUHD-NZVBXONLSA-N
MW301.35 g/mol
LogP1.26
Rot. Bonds6

About 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 71453718) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
PubChem CID71453718
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1
InChIInChI=1S/C16H19N3O3/c20-2-1-12-5-16(22-19-12)11-3-13(8-17-6-11)21-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18,20H,1-2,4,7,9H2/t10-,14-,15+/m0/s1
InChIKeyLSVKCPQHAJJUHD-NZVBXONLSA-N
XLogP1.26
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (CID 71453718) is 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is OCCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1.
What is the InChIKey of 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is LSVKCPQHAJJUHD-NZVBXONLSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-2-1-12-5-16(22-19-12)11-3-13(8-17-6-11)21-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18,20H,1-2,4,7,9H2/t10-,14-,15+/m0/s1.
What are the key properties of 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 301.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 71453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).