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

C16H19N3O2 — CID 71462588

IUPAC5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1
InChIInChI=1S/C16H19N3O2/c1-2-12-5-16(21-19-12)11-3-13(8-17-6-11)20-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18H,2,4,7,9H2,1H3/t10-,14-,15+/m0/s1
InChIKeyBOKKWNSMWLUXRI-NZVBXONLSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds5

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

5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole (PubChem CID 71462588) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
PubChem CID71462588
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1
InChIInChI=1S/C16H19N3O2/c1-2-12-5-16(21-19-12)11-3-13(8-17-6-11)20-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18H,2,4,7,9H2,1H3/t10-,14-,15+/m0/s1
InChIKeyBOKKWNSMWLUXRI-NZVBXONLSA-N
XLogP2.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The IUPAC name of 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole (CID 71462588) is 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole is CCc1cc(-c2cncc(OC[C@H]3NC[C@@H]4C[C@@H]43)c2)on1.
What is the InChIKey of 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The InChIKey is BOKKWNSMWLUXRI-NZVBXONLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-12-5-16(21-19-12)11-3-13(8-17-6-11)20-9-15-14-4-10(14)7-18-15/h3,5-6,8,10,14-15,18H,2,4,7,9H2,1H3/t10-,14-,15+/m0/s1.
What are the key properties of 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole has a molecular weight of 285.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole is sourced from PubChem (CID 71462588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).