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

C21H28N4O3 — CID 171632070

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
SMILESC[C@@H](Nc1nnc([C@@H]2COc3ccccc3C2)o1)C(=O)N1CCC2(CC1)CC2.[H][H]
InChIInChI=1S/C21H26N4O3.H2/c1-14(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-12-15-4-2-3-5-17(15)27-13-16;/h2-5,14,16H,6-13H2,1H3,(H,22,24);1H/t14-,16+;/m1./s1
InChIKeyDUXZWZQNJGKGHK-XMZRARIVSA-N
MW384.48 g/mol
LogP3.24
Rot. Bonds4

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen (PubChem CID 171632070) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
PubChem CID171632070
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
SMILESC[C@@H](Nc1nnc([C@@H]2COc3ccccc3C2)o1)C(=O)N1CCC2(CC1)CC2.[H][H]
InChIInChI=1S/C21H26N4O3.H2/c1-14(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-12-15-4-2-3-5-17(15)27-13-16;/h2-5,14,16H,6-13H2,1H3,(H,22,24);1H/t14-,16+;/m1./s1
InChIKeyDUXZWZQNJGKGHK-XMZRARIVSA-N
XLogP3.24
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen 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-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen (CID 171632070) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen is C[C@@H](Nc1nnc([C@@H]2COc3ccccc3C2)o1)C(=O)N1CCC2(CC1)CC2.[H][H].
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen?
The InChIKey is DUXZWZQNJGKGHK-XMZRARIVSA-N. The full InChI is InChI=1S/C21H26N4O3.H2/c1-14(19(26)25-10-8-21(6-7-21)9-11-25)22-20-24-23-18(28-20)16-12-15-4-2-3-5-17(15)27-13-16;/h2-5,14,16H,6-13H2,1H3,(H,22,24);1H/t14-,16+;/m1./s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen has a molecular weight of 384.48 g/mol, XLogP of 3.24, 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-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen is sourced from PubChem (CID 171632070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).