2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid

C9H7NO4 — CID 82402388

IUPAC2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccco2)o1
InChIInChI=1S/C9H7NO4/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12)
InChIKeyLWMRXRFPEHUFLC-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.56
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid

2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82402388) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID82402388
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccco2)o1
InChIInChI=1S/C9H7NO4/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12)
InChIKeyLWMRXRFPEHUFLC-UHFFFAOYSA-N
XLogP1.56
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087564
CID 164907588
CID 164907588
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079625
2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953949
furan-2-carboxylic acid;gold
CID 174701575
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid (CID 82402388) is 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(Cc2ccco2)o1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is LWMRXRFPEHUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-9(12)7-5-10-8(14-7)4-6-2-1-3-13-6/h1-3,5H,4H2,(H,11,12).
What are the key properties of 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82402388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).