5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole

C15H17N3O2 — CID 167776047

IUPAC5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1noc([C@]23CNC[C@H]2C3)n1
InChIInChI=1S/C15H17N3O2/c1-10-4-2-3-5-12(10)19-8-13-17-14(20-18-13)15-6-11(15)7-16-9-15/h2-5,11,16H,6-9H2,1H3/t11-,15-/m1/s1
InChIKeyJUNSRVLTLQWZJG-IAQYHMDHSA-N
MW271.32 g/mol
LogP1.82
Rot. Bonds4

About 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole

5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 167776047) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID167776047
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1noc([C@]23CNC[C@H]2C3)n1
InChIInChI=1S/C15H17N3O2/c1-10-4-2-3-5-12(10)19-8-13-17-14(20-18-13)15-6-11(15)7-16-9-15/h2-5,11,16H,6-9H2,1H3/t11-,15-/m1/s1
InChIKeyJUNSRVLTLQWZJG-IAQYHMDHSA-N
XLogP1.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole (CID 167776047) is 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole is Cc1ccccc1OCc1noc([C@]23CNC[C@H]2C3)n1.
What is the InChIKey of 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is JUNSRVLTLQWZJG-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-4-2-3-5-12(10)19-8-13-17-14(20-18-13)15-6-11(15)7-16-9-15/h2-5,11,16H,6-9H2,1H3/t11-,15-/m1/s1.
What are the key properties of 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole?
5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167776047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).