(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C21H26N4O3 — CID 171631821

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(C2CCc3ccccc3O2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O3/c1-14(19(26)25-12-10-21(8-9-21)11-13-25)22-20-24-23-18(28-20)17-7-6-15-4-2-3-5-16(15)27-17/h2-5,14,17H,6-13H2,1H3,(H,22,24)/t14-,17?/m1/s1
InChIKeyJJYPGHOICZBTBR-XPCCGILXSA-N
MW382.46 g/mol
LogP3.34
Rot. Bonds4

About (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631821) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631821
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc(C2CCc3ccccc3O2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O3/c1-14(19(26)25-12-10-21(8-9-21)11-13-25)22-20-24-23-18(28-20)17-7-6-15-4-2-3-5-16(15)27-17/h2-5,14,17H,6-13H2,1H3,(H,22,24)/t14-,17?/m1/s1
InChIKeyJJYPGHOICZBTBR-XPCCGILXSA-N
XLogP3.34
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171631821) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc(C2CCc3ccccc3O2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is JJYPGHOICZBTBR-XPCCGILXSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(19(26)25-12-10-21(8-9-21)11-13-25)22-20-24-23-18(28-20)17-7-6-15-4-2-3-5-16(15)27-17/h2-5,14,17H,6-13H2,1H3,(H,22,24)/t14-,17?/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 382.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).