(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C15H23N3O2 — CID 97475661

IUPAC(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCc1nnc(C[C@@H]2OC[C@H]3CN(C4CCC4)CC[C@H]32)o1
InChIInChI=1S/C15H23N3O2/c1-10-16-17-15(20-10)7-14-13-5-6-18(12-3-2-4-12)8-11(13)9-19-14/h11-14H,2-9H2,1H3/t11-,13-,14+/m1/s1
InChIKeyUTGFYRBETRGTOR-BNOWGMLFSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds3

About (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 97475661) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID97475661
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCc1nnc(C[C@@H]2OC[C@H]3CN(C4CCC4)CC[C@H]32)o1
InChIInChI=1S/C15H23N3O2/c1-10-16-17-15(20-10)7-14-13-5-6-18(12-3-2-4-12)8-11(13)9-19-14/h11-14H,2-9H2,1H3/t11-,13-,14+/m1/s1
InChIKeyUTGFYRBETRGTOR-BNOWGMLFSA-N
XLogP1.81
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 97475661) is (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is Cc1nnc(C[C@@H]2OC[C@H]3CN(C4CCC4)CC[C@H]32)o1.
What is the InChIKey of (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is UTGFYRBETRGTOR-BNOWGMLFSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-16-17-15(20-10)7-14-13-5-6-18(12-3-2-4-12)8-11(13)9-19-14/h11-14H,2-9H2,1H3/t11-,13-,14+/m1/s1.
What are the key properties of (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
(1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 277.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,7aR)-5-cyclobutyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 97475661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).