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

C9H7NO4 — CID 82468988

IUPAC4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1-c1ccco1
InChIInChI=1S/C9H7NO4/c1-5-7(6-3-2-4-13-6)8(9(11)12)10-14-5/h2-4H,1H3,(H,11,12)
InChIKeyRIRRHBARQYEFIT-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.94
Rot. Bonds2

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

4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 82468988) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID82468988
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1-c1ccco1
InChIInChI=1S/C9H7NO4/c1-5-7(6-3-2-4-13-6)8(9(11)12)10-14-5/h2-4H,1H3,(H,11,12)
InChIKeyRIRRHBARQYEFIT-UHFFFAOYSA-N
XLogP1.94
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid (CID 82468988) is 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid is Cc1onc(C(=O)O)c1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is RIRRHBARQYEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-5-7(6-3-2-4-13-6)8(9(11)12)10-14-5/h2-4H,1H3,(H,11,12).
What are the key properties of 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid?
4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82468988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).