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

C8H12N2O2 — CID 56949762

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O2/c1-6-4-8(10-12-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyVVAKKXKBWCMSRO-ZETCQYMHSA-N
MW168.20 g/mol
LogP0.72
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole (PubChem CID 56949762) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
PubChem CID56949762
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O2/c1-6-4-8(10-12-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyVVAKKXKBWCMSRO-ZETCQYMHSA-N
XLogP0.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol
CID 56949639
3-[[(2S)-azetidin-2-yl]methoxy]-5-(cyclopropylmethoxymethyl)-1,2-oxazole
CID 56949642
3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole
CID 56949641
N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 4792847
2-[[5-(Trifluoromethyl)-1,2-oxazol-3-yl]oxy]ethanamine
CID 174392501
N,N-dimethyl-4-[(5-methylisoxazol-3-yl)oxy]but-2-yn-1-amine methiodide
CID 24809738
N,N-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-yn-1-amine
CID 44437227
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 56949761
[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid
CID 56950048
3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 56950050
N-(2-Nitroxyethyl)-5-methyl-3-isoxazolyloxyacetamide
CID 15839974

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole (CID 56949762) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole is Cc1cc(OC[C@@H]2CCN2)no1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole?
The InChIKey is VVAKKXKBWCMSRO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-4-8(10-12-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole?
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole has a molecular weight of 168.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).