5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid

C11H11NO4 — CID 3161034

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid
SMILESCc1noc(C)c1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4/c1-6-9(7(2)16-12-6)5-8-3-4-10(15-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyMENMEWDWZRFWGN-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.17
Rot. Bonds3

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 3161034) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid
PubChem CID3161034
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid
SMILESCc1noc(C)c1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4/c1-6-9(7(2)16-12-6)5-8-3-4-10(15-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyMENMEWDWZRFWGN-UHFFFAOYSA-N
XLogP2.17
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid (CID 3161034) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid is Cc1noc(C)c1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MENMEWDWZRFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6-9(7(2)16-12-6)5-8-3-4-10(15-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 3161034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).