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

C20H25FN4O2 — CID 171632312

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene
SMILESFc1ccccc1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H20N4O2.C6H5F/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;7-6-4-2-1-3-5-6/h10H,1-9H2,(H,15,17);1-5H
InChIKeyFEHVJUQVEMMVSA-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.59
Rot. Bonds4

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene (PubChem CID 171632312) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene
PubChem CID171632312
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene
SMILESFc1ccccc1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H20N4O2.C6H5F/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;7-6-4-2-1-3-5-6/h10H,1-9H2,(H,15,17);1-5H
InChIKeyFEHVJUQVEMMVSA-UHFFFAOYSA-N
XLogP3.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;1H-indazole
CID 171632192
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2R)-2-methyl-2-phenylcyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632084
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;4-(trifluoromethyl)-1H-pyrazole
CID 171632180
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171631786
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(1H-pyrazol-5-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632250
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632404
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632231
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[6-chloro-2-(difluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631875
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632438
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-bromo-5-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632484
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632194
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390

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]ethanone;fluorobenzene?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene (CID 171632312) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene is Fc1ccccc1.O=C(CNc1nnc(C2CC2)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene?
The InChIKey is FEHVJUQVEMMVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C6H5F/c19-11(18-7-5-14(3-4-14)6-8-18)9-15-13-17-16-12(20-13)10-1-2-10;7-6-4-2-1-3-5-6/h10H,1-9H2,(H,15,17);1-5H.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene?
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene has a molecular weight of 372.44 g/mol, XLogP of 3.59, 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]ethanone;fluorobenzene is sourced from PubChem (CID 171632312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).