(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O3 — CID 96573795

IUPAC(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1
InChIInChI=1S/C21H26N4O3/c1-2-17-19(23-15-28-17)20(27)24-10-4-7-21(13-24)8-6-18(26)25(14-21)12-16-5-3-9-22-11-16/h3,5,9,11,15H,2,4,6-8,10,12-14H2,1H3/t21-/m1/s1
InChIKeyLJFFOVVFMIMMIA-OAQYLSRUSA-N
MW382.46 g/mol
LogP2.68
Rot. Bonds4

About (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96573795) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96573795
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1
InChIInChI=1S/C21H26N4O3/c1-2-17-19(23-15-28-17)20(27)24-10-4-7-21(13-24)8-6-18(26)25(14-21)12-16-5-3-9-22-11-16/h3,5,9,11,15H,2,4,6-8,10,12-14H2,1H3/t21-/m1/s1
InChIKeyLJFFOVVFMIMMIA-OAQYLSRUSA-N
XLogP2.68
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

ALP-POS-ced8ea4d-45
CID 156906617
5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 2738484
2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 117609598
ALP-POS-88a7a97e-4
CID 156906507
ALP-POS-88a7a97e-8
CID 156906510
ALP-POS-88a7a97e-47
CID 156906540
5-methyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]methyl}-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085707
Sdccgsbi-0117742.P001
CID 45214414
2-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methyl)-N-(4-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085903
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
4-{[2-(1-Isonicotinoylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168410
4-{5-Methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-YL]-1,3-oxazole-4-carbonyl}thiomorpholine
CID 53168430

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96573795) is (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1.
What is the InChIKey of (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LJFFOVVFMIMMIA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-17-19(23-15-28-17)20(27)24-10-4-7-21(13-24)8-6-18(26)25(14-21)12-16-5-3-9-22-11-16/h3,5,9,11,15H,2,4,6-8,10,12-14H2,1H3/t21-/m1/s1.
What are the key properties of (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96573795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).