5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid

C5H7NO3 — CID 142963412

IUPAC5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid
SMILESCC1=C(C(=O)O)CNO1
InChIInChI=1S/C5H7NO3/c1-3-4(5(7)8)2-6-9-3/h6H,2H2,1H3,(H,7,8)
InChIKeyRPONMUWNOOHVOZ-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.12
Rot. Bonds1

About 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid

5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid (PubChem CID 142963412) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid
PubChem CID142963412
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid
SMILESCC1=C(C(=O)O)CNO1
InChIInChI=1S/C5H7NO3/c1-3-4(5(7)8)2-6-9-3/h6H,2H2,1H3,(H,7,8)
InChIKeyRPONMUWNOOHVOZ-UHFFFAOYSA-N
XLogP-0.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid (CID 142963412) is 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid is CC1=C(C(=O)O)CNO1.
What is the InChIKey of 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid?
The InChIKey is RPONMUWNOOHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-4(5(7)8)2-6-9-3/h6H,2H2,1H3,(H,7,8).
What are the key properties of 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid?
5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142963412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).