3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole

C13H14ClN3O3 — CID 71457513

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole
SMILESClc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1
InChIInChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1
InChIKeyWDBLHIYRGWVIPR-JTQLQIEISA-N
MW295.73 g/mol
LogP2.04
Rot. Bonds6

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole (PubChem CID 71457513) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole
PubChem CID71457513
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole
SMILESClc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1
InChIInChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1
InChIKeyWDBLHIYRGWVIPR-JTQLQIEISA-N
XLogP2.04
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole (CID 71457513) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole is Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole?
The InChIKey is WDBLHIYRGWVIPR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole has a molecular weight of 295.73 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 71457513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).