(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C18H22N6O4 — CID 126427632

IUPAC(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)no3)CC2)O1
InChIInChI=1S/C18H22N6O4/c25-16(24-9-2-5-18(6-10-24)12-21-17(26)27-18)20-8-4-14-22-15(23-28-14)13-3-1-7-19-11-13/h1,3,7,11H,2,4-6,8-10,12H2,(H,20,25)(H,21,26)/t18-/m1/s1
InChIKeyILZSNYAARGVELF-GOSISDBHSA-N
MW386.41 g/mol
LogP1.35
Rot. Bonds4

About (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 126427632) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID126427632
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)no3)CC2)O1
InChIInChI=1S/C18H22N6O4/c25-16(24-9-2-5-18(6-10-24)12-21-17(26)27-18)20-8-4-14-22-15(23-28-14)13-3-1-7-19-11-13/h1,3,7,11H,2,4-6,8-10,12H2,(H,20,25)(H,21,26)/t18-/m1/s1
InChIKeyILZSNYAARGVELF-GOSISDBHSA-N
XLogP1.35
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide with MolForge

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Related Compounds

2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 121497154
(5R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126436607
(5R)-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126444714
(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126427748
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807
(3aR,6aR)-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50966313
(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130751
1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 119066688
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135

Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 126427632) is (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is O=C1NC[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)no3)CC2)O1.
What is the InChIKey of (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is ILZSNYAARGVELF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N6O4/c25-16(24-9-2-5-18(6-10-24)12-21-17(26)27-18)20-8-4-14-22-15(23-28-14)13-3-1-7-19-11-13/h1,3,7,11H,2,4-6,8-10,12H2,(H,20,25)(H,21,26)/t18-/m1/s1.
What are the key properties of (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 126427632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).