5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole

C17H20N4O2 — CID 167879532

IUPAC5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cc(OC2CCCC2)ncc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1
InChIInChI=1S/C17H20N4O2/c1-2-4-12(3-1)22-15-6-5-10(9-18-15)16-20-17(23-21-16)14-8-11-7-13(11)19-14/h5-6,9,11-14,19H,1-4,7-8H2/t11-,13-,14+/m1/s1
InChIKeyYHAWCCWSPMYUNA-BNOWGMLFSA-N
MW312.37 g/mol
LogP2.88
Rot. Bonds4

About 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole

5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167879532) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID167879532
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cc(OC2CCCC2)ncc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1
InChIInChI=1S/C17H20N4O2/c1-2-4-12(3-1)22-15-6-5-10(9-18-15)16-20-17(23-21-16)14-8-11-7-13(11)19-14/h5-6,9,11-14,19H,1-4,7-8H2/t11-,13-,14+/m1/s1
InChIKeyYHAWCCWSPMYUNA-BNOWGMLFSA-N
XLogP2.88
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole (CID 167879532) is 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole is c1cc(OC2CCCC2)ncc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1.
What is the InChIKey of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YHAWCCWSPMYUNA-BNOWGMLFSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-4-12(3-1)22-15-6-5-10(9-18-15)16-20-17(23-21-16)14-8-11-7-13(11)19-14/h5-6,9,11-14,19H,1-4,7-8H2/t11-,13-,14+/m1/s1.
What are the key properties of 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole?
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167879532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).