2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid

C8H9NO3 — CID 94379394

IUPAC2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid
SMILESC[C@H]1C[C@H]1c1nc(C(=O)O)co1
InChIInChI=1S/C8H9NO3/c1-4-2-5(4)7-9-6(3-12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)/t4-,5+/m0/s1
InChIKeyMEIOOXHFRSDXMU-CRCLSJGQSA-N
MW167.16 g/mol
LogP1.50
Rot. Bonds2

About 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid

2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 94379394) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid
PubChem CID94379394
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid
SMILESC[C@H]1C[C@H]1c1nc(C(=O)O)co1
InChIInChI=1S/C8H9NO3/c1-4-2-5(4)7-9-6(3-12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)/t4-,5+/m0/s1
InChIKeyMEIOOXHFRSDXMU-CRCLSJGQSA-N
XLogP1.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid (CID 94379394) is 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid is C[C@H]1C[C@H]1c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is MEIOOXHFRSDXMU-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-2-5(4)7-9-6(3-12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)/t4-,5+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid?
2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 94379394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).