5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid

C16H14N4O4 — CID 167993068

IUPAC5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
SMILESCC(c1nc(-c2ccncc2)no1)N1Cc2occ(C(=O)O)c2C1
InChIInChI=1S/C16H14N4O4/c1-9(15-18-14(19-24-15)10-2-4-17-5-3-10)20-6-11-12(16(21)22)8-23-13(11)7-20/h2-5,8-9H,6-7H2,1H3,(H,21,22)
InChIKeyILHDCLUROLERQR-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.50
Rot. Bonds4

About 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid

5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid (PubChem CID 167993068) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
PubChem CID167993068
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
SMILESCC(c1nc(-c2ccncc2)no1)N1Cc2occ(C(=O)O)c2C1
InChIInChI=1S/C16H14N4O4/c1-9(15-18-14(19-24-15)10-2-4-17-5-3-10)20-6-11-12(16(21)22)8-23-13(11)7-20/h2-5,8-9H,6-7H2,1H3,(H,21,22)
InChIKeyILHDCLUROLERQR-UHFFFAOYSA-N
XLogP2.50
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The IUPAC name of 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid (CID 167993068) is 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid is CC(c1nc(-c2ccncc2)no1)N1Cc2occ(C(=O)O)c2C1.
What is the InChIKey of 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The InChIKey is ILHDCLUROLERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-9(15-18-14(19-24-15)10-2-4-17-5-3-10)20-6-11-12(16(21)22)8-23-13(11)7-20/h2-5,8-9H,6-7H2,1H3,(H,21,22).
What are the key properties of 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 167993068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).