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

C14H17N3O3 — CID 46191426

IUPAC2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1
InChIKeyCNECFZVDGRAPIN-LBPRGKRZSA-N
MW275.31 g/mol
LogP1.01
Rot. Bonds6

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

2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 46191426) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
PubChem CID46191426
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESOCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1
InChIKeyCNECFZVDGRAPIN-LBPRGKRZSA-N
XLogP1.01
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.01
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)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (CID 46191426) is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is CNECFZVDGRAPIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12/h5-8,12,16,18H,1-4,9H2/t12-/m0/s1.
What are the key properties of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 275.31 g/mol, XLogP of 1.01, 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)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 46191426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).