1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform

C16H25F3N4O2 — CID 171632137

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform
SMILESC1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)F
InChIInChI=1S/C12H18N4O2.C3H6.CHF3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-3-1;2-1(3)4/h8-9H,2-7H2,1H3,(H,14,15);1-3H2;1H
InChIKeyJTQIUVBKHCMAFF-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.62
Rot. Bonds3

About 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform (PubChem CID 171632137) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform
PubChem CID171632137
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform
SMILESC1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)F
InChIInChI=1S/C12H18N4O2.C3H6.CHF3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-3-1;2-1(3)4/h8-9H,2-7H2,1H3,(H,14,15);1-3H2;1H
InChIKeyJTQIUVBKHCMAFF-UHFFFAOYSA-N
XLogP3.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.62
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-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform (CID 171632137) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform is C1CC1.CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)F.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform?
The InChIKey is JTQIUVBKHCMAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C3H6.CHF3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;1-2-3-1;2-1(3)4/h8-9H,2-7H2,1H3,(H,14,15);1-3H2;1H.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform?
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform has a molecular weight of 362.40 g/mol, XLogP of 3.62, 3 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-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform is sourced from PubChem (CID 171632137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).