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

C14H16N2O3 — CID 56949640

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole
SMILESc1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1
InChIKeyKZONDTNPVHWVKU-NSHDSACASA-N
MW260.29 g/mol
LogP1.99
Rot. Bonds6

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole (PubChem CID 56949640) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole
PubChem CID56949640
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole
SMILESc1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1
InChIKeyKZONDTNPVHWVKU-NSHDSACASA-N
XLogP1.99
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole (CID 56949640) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole is c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole?
The InChIKey is KZONDTNPVHWVKU-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole has a molecular weight of 260.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole is sourced from PubChem (CID 56949640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).