1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform

C18H29F3N4O2 — CID 171632004

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform
SMILESCC.CC(Nc1nnc(C2CC2)o1)C(=O)N1CCC2(CC1)CC2.FC(F)F
InChIInChI=1S/C15H22N4O2.C2H6.CHF3/c1-10(16-14-18-17-12(21-14)11-2-3-11)13(20)19-8-6-15(4-5-15)7-9-19;1-2;2-1(3)4/h10-11H,2-9H2,1H3,(H,16,18);1-2H3;1H
InChIKeyARGGGFHCAIGFQC-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.35
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform (PubChem CID 171632004) has the molecular formula C18H29F3N4O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform
PubChem CID171632004
Molecular FormulaC18H29F3N4O2
Molecular Weight390.45 g/mol
Exact Mass390.22
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform
SMILESCC.CC(Nc1nnc(C2CC2)o1)C(=O)N1CCC2(CC1)CC2.FC(F)F
InChIInChI=1S/C15H22N4O2.C2H6.CHF3/c1-10(16-14-18-17-12(21-14)11-2-3-11)13(20)19-8-6-15(4-5-15)7-9-19;1-2;2-1(3)4/h10-11H,2-9H2,1H3,(H,16,18);1-2H3;1H
InChIKeyARGGGFHCAIGFQC-UHFFFAOYSA-N
XLogP4.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform (CID 171632004) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform is CC.CC(Nc1nnc(C2CC2)o1)C(=O)N1CCC2(CC1)CC2.FC(F)F.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform?
The InChIKey is ARGGGFHCAIGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.C2H6.CHF3/c1-10(16-14-18-17-12(21-14)11-2-3-11)13(20)19-8-6-15(4-5-15)7-9-19;1-2;2-1(3)4/h10-11H,2-9H2,1H3,(H,16,18);1-2H3;1H.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform?
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform has a molecular weight of 390.45 g/mol, XLogP of 4.35, 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-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform is sourced from PubChem (CID 171632004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).