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

C15H18FN3O2 — CID 71450042

IUPAC5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
SMILESFCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1
InChIKeyKZXHYOKRCVIUQQ-ZDUSSCGKSA-N
MW291.33 g/mol
LogP2.38
Rot. Bonds7

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

5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole (PubChem CID 71450042) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
PubChem CID71450042
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
SMILESFCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1
InChIKeyKZXHYOKRCVIUQQ-ZDUSSCGKSA-N
XLogP2.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole?
The IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole (CID 71450042) is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole?
The canonical SMILES for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole is FCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole?
The InChIKey is KZXHYOKRCVIUQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-4-1-2-12-7-15(21-19-12)11-6-14(9-17-8-11)20-10-13-3-5-18-13/h6-9,13,18H,1-5,10H2/t13-/m0/s1.
What are the key properties of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole?
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole has a molecular weight of 291.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole is sourced from PubChem (CID 71450042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).