5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid

C14H14N2O5 — CID 167774076

IUPAC5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid
SMILESCc1ncc(CC(=O)N2CCc3occc3C2C(=O)O)o1
InChIInChI=1S/C14H14N2O5/c1-8-15-7-9(21-8)6-12(17)16-4-2-11-10(3-5-20-11)13(16)14(18)19/h3,5,7,13H,2,4,6H2,1H3,(H,18,19)
InChIKeyVTVHZGIMHJAPCW-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.33
Rot. Bonds3

About 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid

5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid (PubChem CID 167774076) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid
PubChem CID167774076
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid
SMILESCc1ncc(CC(=O)N2CCc3occc3C2C(=O)O)o1
InChIInChI=1S/C14H14N2O5/c1-8-15-7-9(21-8)6-12(17)16-4-2-11-10(3-5-20-11)13(16)14(18)19/h3,5,7,13H,2,4,6H2,1H3,(H,18,19)
InChIKeyVTVHZGIMHJAPCW-UHFFFAOYSA-N
XLogP1.33
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid (CID 167774076) is 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid is Cc1ncc(CC(=O)N2CCc3occc3C2C(=O)O)o1.
What is the InChIKey of 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is VTVHZGIMHJAPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-15-7-9(21-8)6-12(17)16-4-2-11-10(3-5-20-11)13(16)14(18)19/h3,5,7,13H,2,4,6H2,1H3,(H,18,19).
What are the key properties of 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid?
5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-1,3-oxazol-5-yl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 167774076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).