(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C20H25N5O2 — CID 171631962

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(C2CC2c2ccccn2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H25N5O2/c1-13(18(26)25-10-7-20(5-6-20)8-11-25)22-19-24-23-17(27-19)15-12-14(15)16-4-2-3-9-21-16/h2-4,9,13-15H,5-8,10-12H2,1H3,(H,22,24)/t13-,14?,15?/m1/s1
InChIKeyLCGYWBNXIVYILC-WLYUNCDWSA-N
MW367.45 g/mol
LogP2.94
Rot. Bonds5

About (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631962) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631962
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(C2CC2c2ccccn2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H25N5O2/c1-13(18(26)25-10-7-20(5-6-20)8-11-25)22-19-24-23-17(27-19)15-12-14(15)16-4-2-3-9-21-16/h2-4,9,13-15H,5-8,10-12H2,1H3,(H,22,24)/t13-,14?,15?/m1/s1
InChIKeyLCGYWBNXIVYILC-WLYUNCDWSA-N
XLogP2.94
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Related Compounds

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632194
4-[(1R,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252793
4-[(1S,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252752
4-[(1S,2R)-2-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 171632019
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174252084
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174250250
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174253414
(2R)-2-[[5-[(1S,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171631839
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631821
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632579
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
CID 171632070

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171631962) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc(C2CC2c2ccccn2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is LCGYWBNXIVYILC-WLYUNCDWSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(18(26)25-10-7-20(5-6-20)8-11-25)22-19-24-23-17(27-19)15-12-14(15)16-4-2-3-9-21-16/h2-4,9,13-15H,5-8,10-12H2,1H3,(H,22,24)/t13-,14?,15?/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 367.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).