3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

C9H9NO4 — CID 53323582

IUPAC3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccoc2)=NO1
InChIInChI=1S/C9H9NO4/c1-9(8(11)12)4-7(10-14-9)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyHPBIADLCLWSOHG-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.25
Rot. Bonds2

About 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 53323582) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID53323582
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccoc2)=NO1
InChIInChI=1S/C9H9NO4/c1-9(8(11)12)4-7(10-14-9)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyHPBIADLCLWSOHG-UHFFFAOYSA-N
XLogP1.25
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 53323582) is 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is CC1(C(=O)O)CC(c2ccoc2)=NO1.
What is the InChIKey of 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is HPBIADLCLWSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-9(8(11)12)4-7(10-14-9)6-2-3-13-5-6/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 53323582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).