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

C21H26N4O2 — CID 171632500

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2cccc(C3CC3)c2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O2/c1-14(19(26)25-11-9-21(7-8-21)10-12-25)22-20-24-23-18(27-20)17-4-2-3-16(13-17)15-5-6-15/h2-4,13-15H,5-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyVSOHSCDXJCDCQQ-AWEZNQCLSA-N
MW366.47 g/mol
LogP3.82
Rot. Bonds5

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

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171632500) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171632500
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2cccc(C3CC3)c2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O2/c1-14(19(26)25-11-9-21(7-8-21)10-12-25)22-20-24-23-18(27-20)17-4-2-3-16(13-17)15-5-6-15/h2-4,13-15H,5-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyVSOHSCDXJCDCQQ-AWEZNQCLSA-N
XLogP3.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174252957
(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
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632433
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631908
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171632324
(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
3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 171631867
(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
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butan-1-one
CID 174249196
(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632334

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (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) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc(-c2cccc(C3CC3)c2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is VSOHSCDXJCDCQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(19(26)25-11-9-21(7-8-21)10-12-25)22-20-24-23-18(27-20)17-4-2-3-16(13-17)15-5-6-15/h2-4,13-15H,5-12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 366.47 g/mol, XLogP of 3.82, 5 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-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).