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

C14H17N3O2 — CID 71455447

IUPAC5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1
InChIKeyZDKWIWBHZBARRN-LBPRGKRZSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds5

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

5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole (PubChem CID 71455447) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
PubChem CID71455447
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
SMILESCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1
InChIKeyZDKWIWBHZBARRN-LBPRGKRZSA-N
XLogP2.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The IUPAC name of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole (CID 71455447) is 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole is CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
The InChIKey is ZDKWIWBHZBARRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-11-6-14(19-17-11)10-5-13(8-15-7-10)18-9-12-3-4-16-12/h5-8,12,16H,2-4,9H2,1H3/t12-/m0/s1.
What are the key properties of 5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole?
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole has a molecular weight of 259.31 g/mol, XLogP of 2.04, 5 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-ethyl-1,2-oxazole is sourced from PubChem (CID 71455447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).