(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

C18H29N3O3 — CID 124799351

IUPAC(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H29N3O3/c1-4-16-18(8-6-17(22)21(18)10-11-23-3)7-5-9-20(16)13-15-12-14(2)24-19-15/h12,16H,4-11,13H2,1-3H3/t16-,18-/m1/s1
InChIKeyOMTYIHIPZZLGOM-SJLPKXTDSA-N
MW335.45 g/mol
LogP2.37
Rot. Bonds6

About (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one

(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124799351) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124799351
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H29N3O3/c1-4-16-18(8-6-17(22)21(18)10-11-23-3)7-5-9-20(16)13-15-12-14(2)24-19-15/h12,16H,4-11,13H2,1-3H3/t16-,18-/m1/s1
InChIKeyOMTYIHIPZZLGOM-SJLPKXTDSA-N
XLogP2.37
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one (CID 124799351) is (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(Cc2cc(C)on2)CCC[C@@]12CCC(=O)N2CCOC.
What is the InChIKey of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is OMTYIHIPZZLGOM-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-16-18(8-6-17(22)21(18)10-11-23-3)7-5-9-20(16)13-15-12-14(2)24-19-15/h12,16H,4-11,13H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 335.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).