(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C15H23N3O3 — CID 124790087

IUPAC(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOCCN1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C15H23N3O3/c1-19-7-6-18-5-4-11-8-12(20-13(11)9-18)15-17-16-14(21-15)10-2-3-10/h10-13H,2-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyHJKBGYFPFYHPCC-UPJWGTAASA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds5

About (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124790087) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124790087
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOCCN1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C15H23N3O3/c1-19-7-6-18-5-4-11-8-12(20-13(11)9-18)15-17-16-14(21-15)10-2-3-10/h10-13H,2-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyHJKBGYFPFYHPCC-UPJWGTAASA-N
XLogP1.75
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124790087) is (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is COCCN1CC[C@@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1.
What is the InChIKey of (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is HJKBGYFPFYHPCC-UPJWGTAASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-19-7-6-18-5-4-11-8-12(20-13(11)9-18)15-17-16-14(21-15)10-2-3-10/h10-13H,2-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 293.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124790087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).