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

C9H14N2O3 — CID 56949641

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C9H14N2O3/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7/h4,7,10H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyDCPBGIZDLFBSSR-ZETCQYMHSA-N
MW198.22 g/mol
LogP0.56
Rot. Bonds5

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 56949641) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole
PubChem CID56949641
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C9H14N2O3/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7/h4,7,10H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyDCPBGIZDLFBSSR-ZETCQYMHSA-N
XLogP0.56
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.56
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-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole (CID 56949641) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(OC[C@@H]2CCN2)no1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is DCPBGIZDLFBSSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7/h4,7,10H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 198.22 g/mol, XLogP of 0.56, 5 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-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 56949641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).