(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

C18H20F2N4O2 — CID 171632189

IUPAC(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
SMILESC[C@@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1C[C@@H](C(F)F)C2(CC2)C1
InChIInChI=1S/C18H20F2N4O2/c1-11(16(25)24-9-13(14(19)20)18(10-24)7-8-18)21-17-23-22-15(26-17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,21,23)/t11-,13+/m1/s1
InChIKeyYIAREIZOCNWPKF-YPMHNXCESA-N
MW362.38 g/mol
LogP3.04
Rot. Bonds5

About (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

(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 (PubChem CID 171632189) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171632189
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name(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
SMILESC[C@@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1C[C@@H](C(F)F)C2(CC2)C1
InChIInChI=1S/C18H20F2N4O2/c1-11(16(25)24-9-13(14(19)20)18(10-24)7-8-18)21-17-23-22-15(26-17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,21,23)/t11-,13+/m1/s1
InChIKeyYIAREIZOCNWPKF-YPMHNXCESA-N
XLogP3.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
(2S)-1-(2-azaspiro[3.4]octan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632334
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
1-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632402
(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
(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-(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)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-[(6S)-6-methyl-5-azaspiro[2.4]heptan-5-yl]propan-1-one
CID 178127938
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butan-1-one
CID 174249196
N-(2-fluoroethyl)-N-[2-[1-(fluoromethyl)cyclopropyl]ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propanamide
CID 171632165

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](Nc1nnc(-c2ccccc2)o1)C(=O)N1C[C@@H](C(F)F)C2(CC2)C1.
What is the InChIKey of (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?
The InChIKey is YIAREIZOCNWPKF-YPMHNXCESA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-11(16(25)24-9-13(14(19)20)18(10-24)7-8-18)21-17-23-22-15(26-17)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,21,23)/t11-,13+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 362.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171632189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).