(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

C21H24N4O3 — CID 171631839

IUPAC(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
SMILESC[C@@H](Nc1nnc([C@@H]2[C@@H]3Oc4ccccc4[C@@H]32)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24N4O3/c1-12(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-15-13-4-2-3-5-14(13)27-17(15)16/h2-5,12,15-17H,6-11H2,1H3,(H,22,24)/t12-,15-,16+,17-/m1/s1
InChIKeyMJVHXHPPHJLBSF-VDNDLQMASA-N
MW380.45 g/mol
LogP2.91
Rot. Bonds4

About (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

(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 (PubChem CID 171631839) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171631839
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(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
SMILESC[C@@H](Nc1nnc([C@@H]2[C@@H]3Oc4ccccc4[C@@H]32)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24N4O3/c1-12(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-15-13-4-2-3-5-14(13)27-17(15)16/h2-5,12,15-17H,6-11H2,1H3,(H,22,24)/t12-,15-,16+,17-/m1/s1
InChIKeyMJVHXHPPHJLBSF-VDNDLQMASA-N
XLogP2.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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-(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-(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-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(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
(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-[(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,2S)-2-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632194
(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)-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-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631908
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](Nc1nnc([C@@H]2[C@@H]3Oc4ccccc4[C@@H]32)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (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?
The InChIKey is MJVHXHPPHJLBSF-VDNDLQMASA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-15-13-4-2-3-5-14(13)27-17(15)16/h2-5,12,15-17H,6-11H2,1H3,(H,22,24)/t12-,15-,16+,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 380.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171631839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).