(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C21H23N5O2 — CID 174252957

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2ccc3cccnc3c2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H23N5O2/c1-14(19(27)26-11-8-21(6-7-21)9-12-26)23-20-25-24-18(28-20)16-5-4-15-3-2-10-22-17(15)13-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUAMKJGCORIPMOV-AWEZNQCLSA-N
MW377.45 g/mol
LogP3.49
Rot. Bonds4

About (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 174252957) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-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-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
PubChem CID174252957
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2ccc3cccnc3c2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H23N5O2/c1-14(19(27)26-11-8-21(6-7-21)9-12-26)23-20-25-24-18(28-20)16-5-4-15-3-2-10-22-17(15)13-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUAMKJGCORIPMOV-AWEZNQCLSA-N
XLogP3.49
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-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-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 174252957) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-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-quinolin-7-yl-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-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is C[C@H](Nc1nnc(-c2ccc3cccnc3c2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
The InChIKey is UAMKJGCORIPMOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(19(27)26-11-8-21(6-7-21)9-12-26)23-20-25-24-18(28-20)16-5-4-15-3-2-10-22-17(15)13-16/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one has a molecular weight of 377.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 174252957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).