1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone

C19H20ClN5O2 — CID 171632231

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc(-c2cc3cc(Cl)ccc3[nH]2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C19H20ClN5O2/c20-13-1-2-14-12(9-13)10-15(22-14)17-23-24-18(27-17)21-11-16(26)25-7-5-19(3-4-19)6-8-25/h1-2,9-10,22H,3-8,11H2,(H,21,24)
InChIKeyOXTNVIUITHYNLD-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.69
Rot. Bonds4

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632231) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone
PubChem CID171632231
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESO=C(CNc1nnc(-c2cc3cc(Cl)ccc3[nH]2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C19H20ClN5O2/c20-13-1-2-14-12(9-13)10-15(22-14)17-23-24-18(27-17)21-11-16(26)25-7-5-19(3-4-19)6-8-25/h1-2,9-10,22H,3-8,11H2,(H,21,24)
InChIKeyOXTNVIUITHYNLD-UHFFFAOYSA-N
XLogP3.69
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone with MolForge

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Related Compounds

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
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-[6-chloro-2-(difluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631875
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631908
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone;ethane
CID 171632131
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-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]ethanone;fluorobenzene
CID 171632312
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-(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-[(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-[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-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631671

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The IUPAC name of 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) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone is O=C(CNc1nnc(-c2cc3cc(Cl)ccc3[nH]2)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The InChIKey is OXTNVIUITHYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-13-1-2-14-12(9-13)10-15(22-14)17-23-24-18(27-17)21-11-16(26)25-7-5-19(3-4-19)6-8-25/h1-2,9-10,22H,3-8,11H2,(H,21,24).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 385.86 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 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-(5-chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).