1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone

C16H21F3N4O3 — CID 171631741

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc(C2CC(OC(F)(F)F)C2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)26-11-7-10(8-11)13-21-22-14(25-13)20-9-12(24)23-5-3-15(1-2-15)4-6-23/h10-11H,1-9H2,(H,20,22)
InChIKeyMKXQPJUWYOIDCF-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.67
Rot. Bonds5

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171631741) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
PubChem CID171631741
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc(C2CC(OC(F)(F)F)C2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)26-11-7-10(8-11)13-21-22-14(25-13)20-9-12(24)23-5-3-15(1-2-15)4-6-23/h10-11H,1-9H2,(H,20,22)
InChIKeyMKXQPJUWYOIDCF-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171631741) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is O=C(CNc1nnc(C2CC(OC(F)(F)F)C2)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
The InChIKey is MKXQPJUWYOIDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c17-16(18,19)26-11-7-10(8-11)13-21-22-14(25-13)20-9-12(24)23-5-3-15(1-2-15)4-6-23/h10-11H,1-9H2,(H,20,22).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 374.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171631741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).