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

C9H7NO5 — CID 96615633

IUPAC4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid
SMILESCOc1cc(-c2cocc2C(=O)O)on1
InChIInChI=1S/C9H7NO5/c1-13-8-2-7(15-10-8)5-3-14-4-6(5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyMVTCMTCZBDZJJU-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.64
Rot. Bonds3

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

4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid (PubChem CID 96615633) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid
PubChem CID96615633
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid
SMILESCOc1cc(-c2cocc2C(=O)O)on1
InChIInChI=1S/C9H7NO5/c1-13-8-2-7(15-10-8)5-3-14-4-6(5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyMVTCMTCZBDZJJU-UHFFFAOYSA-N
XLogP1.64
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid?
The IUPAC name of 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid (CID 96615633) is 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid is COc1cc(-c2cocc2C(=O)O)on1.
What is the InChIKey of 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid?
The InChIKey is MVTCMTCZBDZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c1-13-8-2-7(15-10-8)5-3-14-4-6(5)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid?
4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-1,2-oxazol-5-yl)furan-3-carboxylic acid is sourced from PubChem (CID 96615633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).