1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone

C15H19F3N4O2 — CID 171632289

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc([C@@H]2CC2C(F)(F)F)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)10-7-9(10)12-20-21-13(24-12)19-8-11(23)22-5-3-14(1-2-14)4-6-22/h9-10H,1-8H2,(H,19,21)/t9-,10?/m1/s1
InChIKeyWCKPGQJBADTFKM-YHMJZVADSA-N
MW344.34 g/mol
LogP2.55
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632289) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
PubChem CID171632289
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc([C@@H]2CC2C(F)(F)F)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)10-7-9(10)12-20-21-13(24-12)19-8-11(23)22-5-3-14(1-2-14)4-6-22/h9-10H,1-8H2,(H,19,21)/t9-,10?/m1/s1
InChIKeyWCKPGQJBADTFKM-YHMJZVADSA-N
XLogP2.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone with MolForge

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Related Compounds

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631653
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631741
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631942
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631992
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632055
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632103
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632150
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632375
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene
CID 171632416
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632474
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632487
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632638

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171632289) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is O=C(CNc1nnc([C@@H]2CC2C(F)(F)F)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The InChIKey is WCKPGQJBADTFKM-YHMJZVADSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)10-7-9(10)12-20-21-13(24-12)19-8-11(23)22-5-3-14(1-2-14)4-6-22/h9-10H,1-8H2,(H,19,21)/t9-,10?/m1/s1.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 344.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).