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

C8H5NO4 — CID 75356057

IUPAC5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccoc1
InChIInChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChIKeyNBLAWCJCDVSVRQ-UHFFFAOYSA-N
MW179.13 g/mol
LogP1.63
Rot. Bonds2

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

5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 75356057) has the molecular formula C8H5NO4 and a molecular weight of 179.13 g/mol. Its IUPAC name is 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID75356057
Molecular FormulaC8H5NO4
Molecular Weight179.13 g/mol
Exact Mass179.02
IUPAC Name5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccoc1
InChIInChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChIKeyNBLAWCJCDVSVRQ-UHFFFAOYSA-N
XLogP1.63
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid (CID 75356057) is 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1ccoc1.
What is the InChIKey of 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is NBLAWCJCDVSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11).
What are the key properties of 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).