5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole

C16H15N3O3 — CID 126804009

IUPAC5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ncccc1Cc1noc(-c2occ3c2CCC3)n1
InChIInChI=1S/C16H15N3O3/c1-20-15-10(5-3-7-17-15)8-13-18-16(22-19-13)14-12-6-2-4-11(12)9-21-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyLRQAHJZYFGEBDO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.81
Rot. Bonds4

About 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole

5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole (PubChem CID 126804009) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole
PubChem CID126804009
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ncccc1Cc1noc(-c2occ3c2CCC3)n1
InChIInChI=1S/C16H15N3O3/c1-20-15-10(5-3-7-17-15)8-13-18-16(22-19-13)14-12-6-2-4-11(12)9-21-14/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyLRQAHJZYFGEBDO-UHFFFAOYSA-N
XLogP2.81
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole (CID 126804009) is 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole is COc1ncccc1Cc1noc(-c2occ3c2CCC3)n1.
What is the InChIKey of 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole?
The InChIKey is LRQAHJZYFGEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-15-10(5-3-7-17-15)8-13-18-16(22-19-13)14-12-6-2-4-11(12)9-21-14/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole?
5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-cyclopenta[c]furan-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126804009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).