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

C15H16F3N3O2 — CID 71460892

IUPAC5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
SMILESFC(F)(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1
InChIKeyPUCADISPXQCOJH-LBPRGKRZSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds6

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

5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole (PubChem CID 71460892) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
PubChem CID71460892
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
SMILESFC(F)(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1
InChIKeyPUCADISPXQCOJH-LBPRGKRZSA-N
XLogP2.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(s)-2-(5-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)isoxazol-3-yl)ethan-1-ol
CID 46191426
[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
CID 56595438
3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
CID 56595309
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
CID 56595564
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
CID 71450042
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
CID 71453717
5-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]-3-(3,3-difluoropropyl)-1,2-oxazole
CID 71455410
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
CID 71455447
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
CID 71457187
6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(2,2,2-trifluoro-1-methyl-ethyl)-nicotinamide
CID 57521167
2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
CID 71453718
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole
CID 71455409

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole?
The IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole (CID 71460892) is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole?
The canonical SMILES for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole is FC(F)(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole?
The InChIKey is PUCADISPXQCOJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)3-1-11-6-14(23-21-11)10-5-13(8-19-7-10)22-9-12-2-4-20-12/h5-8,12,20H,1-4,9H2/t12-/m0/s1.
What are the key properties of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole?
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole has a molecular weight of 327.31 g/mol, XLogP of 2.97, 6 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-(3,3,3-trifluoropropyl)-1,2-oxazole is sourced from PubChem (CID 71460892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).