(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

C20H23N5O2 — CID 171631908

IUPAC(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
SMILESC[C@H](Nc1nnc(-c2cc3ccccc3[nH]2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N5O2/c1-13(18(26)25-10-8-20(6-7-20)9-11-25)21-19-24-23-17(27-19)16-12-14-4-2-3-5-15(14)22-16/h2-5,12-13,22H,6-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyKRCKCMRPVVFGPV-ZDUSSCGKSA-N
MW365.44 g/mol
LogP3.42
Rot. Bonds4

About (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

(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 (PubChem CID 171631908) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171631908
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(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
SMILESC[C@H](Nc1nnc(-c2cc3ccccc3[nH]2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N5O2/c1-13(18(26)25-10-8-20(6-7-20)9-11-25)21-19-24-23-17(27-19)16-12-14-4-2-3-5-15(14)22-16/h2-5,12-13,22H,6-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyKRCKCMRPVVFGPV-ZDUSSCGKSA-N
XLogP3.42
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632433
(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
(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-[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-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632540
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[6-chloro-2-(difluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632260
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632231
(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
(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)-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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](Nc1nnc(-c2cc3ccccc3[nH]2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (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?
The InChIKey is KRCKCMRPVVFGPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(18(26)25-10-8-20(6-7-20)9-11-25)21-19-24-23-17(27-19)16-12-14-4-2-3-5-15(14)22-16/h2-5,12-13,22H,6-11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 365.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 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-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).