5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole

C14H15N3O — CID 178121281

IUPAC5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@H]3N[C@@H]4CC[C@H]3C4)n2)cc1
InChIInChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-16-14(18-17-13)12-10-6-7-11(8-10)15-12/h1-5,10-12,15H,6-8H2/t10-,11+,12-/m0/s1
InChIKeyZEKGVQVJJSWBME-TUAOUCFPSA-N
MW241.29 g/mol
LogP2.55
Rot. Bonds2

About 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole

5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 178121281) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID178121281
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc([C@H]3N[C@@H]4CC[C@H]3C4)n2)cc1
InChIInChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-16-14(18-17-13)12-10-6-7-11(8-10)15-12/h1-5,10-12,15H,6-8H2/t10-,11+,12-/m0/s1
InChIKeyZEKGVQVJJSWBME-TUAOUCFPSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 178121281) is 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc([C@H]3N[C@@H]4CC[C@H]3C4)n2)cc1.
What is the InChIKey of 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZEKGVQVJJSWBME-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-16-14(18-17-13)12-10-6-7-11(8-10)15-12/h1-5,10-12,15H,6-8H2/t10-,11+,12-/m0/s1.
What are the key properties of 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 241.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 178121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).