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

C15H17F2N3O2 — CID 71455410

IUPAC5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole
SMILESFC(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1
InChIKeyMDQRTKPORXDJTI-LBPRGKRZSA-N
MW309.32 g/mol
LogP2.67
Rot. Bonds7

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

5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole (PubChem CID 71455410) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole
PubChem CID71455410
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole
SMILESFC(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1
InChIKeyMDQRTKPORXDJTI-LBPRGKRZSA-N
XLogP2.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.67
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-(3,3-difluoropropyl)-1,2-oxazole?
The IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole (CID 71455410) is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole?
The canonical SMILES for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole is FC(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole?
The InChIKey is MDQRTKPORXDJTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-15(17)2-1-11-6-14(22-20-11)10-5-13(8-18-7-10)21-9-12-3-4-19-12/h5-8,12,15,19H,1-4,9H2/t12-/m0/s1.
What are the key properties of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole?
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3-difluoropropyl)-1,2-oxazole has a molecular weight of 309.32 g/mol, XLogP of 2.67, 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-(3,3-difluoropropyl)-1,2-oxazole is sourced from PubChem (CID 71455410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).