2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole

C8H12N2O — CID 59548485

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole
SMILESCN1CCC[C@H]1c1ncco1
InChIInChI=1S/C8H12N2O/c1-10-5-2-3-7(10)8-9-4-6-11-8/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyAZKGEIALCDMUTQ-ZETCQYMHSA-N
MW152.20 g/mol
LogP1.44
Rot. Bonds1

About 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole

2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole (PubChem CID 59548485) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole
PubChem CID59548485
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole
SMILESCN1CCC[C@H]1c1ncco1
InChIInChI=1S/C8H12N2O/c1-10-5-2-3-7(10)8-9-4-6-11-8/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyAZKGEIALCDMUTQ-ZETCQYMHSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole (CID 59548485) is 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole is CN1CCC[C@H]1c1ncco1.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is AZKGEIALCDMUTQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-5-2-3-7(10)8-9-4-6-11-8/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole?
2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 59548485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).