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

C16H21N3O3 — CID 71457185

IUPAC3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol
SMILESOCCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C16H21N3O3/c20-6-2-4-13-8-16(22-19-13)12-7-15(10-17-9-12)21-11-14-3-1-5-18-14/h7-10,14,18,20H,1-6,11H2/t14-/m0/s1
InChIKeyMCKKZFLYGFKKCU-AWEZNQCLSA-N
MW303.36 g/mol
LogP1.79
Rot. Bonds7

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

3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol (PubChem CID 71457185) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol
PubChem CID71457185
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol
SMILESOCCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1
InChIInChI=1S/C16H21N3O3/c20-6-2-4-13-8-16(22-19-13)12-7-15(10-17-9-12)21-11-14-3-1-5-18-14/h7-10,14,18,20H,1-6,11H2/t14-/m0/s1
InChIKeyMCKKZFLYGFKKCU-AWEZNQCLSA-N
XLogP1.79
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol (CID 71457185) is 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol is OCCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1.
What is the InChIKey of 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol?
The InChIKey is MCKKZFLYGFKKCU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-6-2-4-13-8-16(22-19-13)12-7-15(10-17-9-12)21-11-14-3-1-5-18-14/h7-10,14,18,20H,1-6,11H2/t14-/m0/s1.
What are the key properties of 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol?
3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol has a molecular weight of 303.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol is sourced from PubChem (CID 71457185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).