(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

C21H25FN4O2 — CID 171632194

IUPAC(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
SMILESC[C@H](Nc1nnc([C@@H]2C[C@@H]2c2ccc(F)cc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H25FN4O2/c1-13(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-16(17)14-2-4-15(22)5-3-14/h2-5,13,16-17H,6-12H2,1H3,(H,23,25)/t13-,16+,17+/m0/s1
InChIKeySKEBOTVXIZWDHU-IAOVAPTHSA-N
MW384.46 g/mol
LogP3.68
Rot. Bonds5

About (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

(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 (PubChem CID 171632194) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171632194
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(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
SMILESC[C@H](Nc1nnc([C@@H]2C[C@@H]2c2ccc(F)cc2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H25FN4O2/c1-13(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-16(17)14-2-4-15(22)5-3-14/h2-5,13,16-17H,6-12H2,1H3,(H,23,25)/t13-,16+,17+/m0/s1
InChIKeySKEBOTVXIZWDHU-IAOVAPTHSA-N
XLogP3.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

4-[(1R,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 174252793
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
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
(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
(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
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174253414
(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
(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
(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-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](Nc1nnc([C@@H]2C[C@@H]2c2ccc(F)cc2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (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?
The InChIKey is SKEBOTVXIZWDHU-IAOVAPTHSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(19(27)26-10-8-21(6-7-21)9-11-26)23-20-25-24-18(28-20)17-12-16(17)14-2-4-15(22)5-3-14/h2-5,13,16-17H,6-12H2,1H3,(H,23,25)/t13-,16+,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 384.46 g/mol, XLogP of 3.68, 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-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171632194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).