2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

C15H19N3O3 — CID 71460847

IUPAC2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C15H19N3O3/c19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-1-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1
InChIKeyAZBCGDLXFUVTPO-ZDUSSCGKSA-N
MW289.34 g/mol
LogP1.40
Rot. Bonds6

About 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 71460847) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
PubChem CID71460847
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C15H19N3O3/c19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-1-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1
InChIKeyAZBCGDLXFUVTPO-ZDUSSCGKSA-N
XLogP1.40
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (CID 71460847) is 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1.
What is the InChIKey of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is AZBCGDLXFUVTPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-1-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1.
What are the key properties of 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 289.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 71460847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).