(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C16H24N4O2 — CID 171632468

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(C2CCC2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C16H24N4O2/c1-11(14(21)20-9-7-16(5-6-16)8-10-20)17-15-19-18-13(22-15)12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyYHXYMHACDWKEKI-NSHDSACASA-N
MW304.39 g/mol
LogP2.54
Rot. Bonds4

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

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 171632468) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
PubChem CID171632468
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(C2CCC2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C16H24N4O2/c1-11(14(21)20-9-7-16(5-6-16)8-10-20)17-15-19-18-13(22-15)12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyYHXYMHACDWKEKI-NSHDSACASA-N
XLogP2.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 171632468) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The canonical SMILES for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is C[C@H](Nc1nnc(C2CCC2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The InChIKey is YHXYMHACDWKEKI-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(14(21)20-9-7-16(5-6-16)8-10-20)17-15-19-18-13(22-15)12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 171632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).