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

C8H12N2O — CID 22853239

IUPAC3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCN2C)on1
InChIInChI=1S/C8H12N2O/c1-6-5-8(11-9-6)7-3-4-10(7)2/h5,7H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyGOGNQFCSONPHIS-ZETCQYMHSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds1

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

3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole (PubChem CID 22853239) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole
PubChem CID22853239
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCN2C)on1
InChIInChI=1S/C8H12N2O/c1-6-5-8(11-9-6)7-3-4-10(7)2/h5,7H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyGOGNQFCSONPHIS-ZETCQYMHSA-N
XLogP1.36
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole (CID 22853239) is 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCN2C)on1.
What is the InChIKey of 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole?
The InChIKey is GOGNQFCSONPHIS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-8(11-9-6)7-3-4-10(7)2/h5,7H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole?
3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 22853239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).