(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C18H22N4O2 — CID 171632334

IUPAC(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1CC2(CCCC2)C1
InChIInChI=1S/C18H22N4O2/c1-13(16(23)22-11-18(12-22)9-5-6-10-18)19-17-21-20-15(24-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyRCQYGSRPCIMLSX-ZDUSSCGKSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds4

About (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 171632334) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
PubChem CID171632334
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1CC2(CCCC2)C1
InChIInChI=1S/C18H22N4O2/c1-13(16(23)22-11-18(12-22)9-5-6-10-18)19-17-21-20-15(24-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyRCQYGSRPCIMLSX-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

Analyze (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2R)-1-[(7S)-7-(difluoromethyl)-5-azaspiro[2.4]heptan-5-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632189
(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)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632389
1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632402
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butan-1-one
CID 174249196
(2R)-1-[(7S)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 178127862
(2R)-1-[(7R)-7-fluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 178127837
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632500
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632339
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171632324
(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-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The IUPAC name of (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 171632334) is (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The canonical SMILES for (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is C[C@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1CC2(CCCC2)C1.
What is the InChIKey of (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The InChIKey is RCQYGSRPCIMLSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(16(23)22-11-18(12-22)9-5-6-10-18)19-17-21-20-15(24-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-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-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 171632334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).