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

C15H19N3O3 — CID 71455409

IUPAC5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole
SMILESCOCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1
InChIKeyOQLGGCKCIDDCBN-ZDUSSCGKSA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds7

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

5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole (PubChem CID 71455409) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole
PubChem CID71455409
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole
SMILESCOCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1
InChIKeyOQLGGCKCIDDCBN-ZDUSSCGKSA-N
XLogP1.67
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole?
The IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole (CID 71455409) is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole?
The canonical SMILES for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole is COCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole?
The InChIKey is OQLGGCKCIDDCBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-5-3-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-2-4-17-13/h6-9,13,17H,2-5,10H2,1H3/t13-/m0/s1.
What are the key properties of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole?
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole has a molecular weight of 289.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole is sourced from PubChem (CID 71455409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).