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

C18H22N4O2 — CID 171631725

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
SMILESC[C@H](Nc1noc(-c2ccccc2)n1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C18H22N4O2/c1-13(16(23)22-11-9-18(7-8-18)10-12-22)19-17-20-15(24-21-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyGDYIKNQUETWCGI-ZDUSSCGKSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds4

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

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one (PubChem CID 171631725) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
PubChem CID171631725
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
SMILESC[C@H](Nc1noc(-c2ccccc2)n1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C18H22N4O2/c1-13(16(23)22-11-9-18(7-8-18)10-12-22)19-17-20-15(24-21-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyGDYIKNQUETWCGI-ZDUSSCGKSA-N
XLogP2.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 171631157
N-[(2S)-1-(5-azaspiro[2.3]hexan-5-yl)-1-oxopropan-2-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 171631117
2-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-5-phenyl-1,3-oxazole-4-carbonitrile
CID 171632688
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(3-cyanophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 171631377
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632426
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butan-1-one
CID 174249196
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 174372863
anisole;1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane
CID 171632434
(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171632139

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one?
The IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one (CID 171631725) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one.
What is the SMILES notation for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one?
The canonical SMILES for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one is C[C@H](Nc1noc(-c2ccccc2)n1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one?
The InChIKey is GDYIKNQUETWCGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(16(23)22-11-9-18(7-8-18)10-12-22)19-17-20-15(24-21-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one is sourced from PubChem (CID 171631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).