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

C18H27N3O2 — CID 124794901

IUPAC(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)on1)[C@@H]2CC
InChIInChI=1S/C18H27N3O2/c1-4-10-21-17(22)7-9-18(21)8-6-11-20(16(18)5-2)13-15-12-14(3)23-19-15/h4,12,16H,1,5-11,13H2,2-3H3/t16-,18-/m1/s1
InChIKeyAHQWUAJLYFNYTL-SJLPKXTDSA-N
MW317.43 g/mol
LogP2.90
Rot. Bonds5

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

(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124794901) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124794901
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)on1)[C@@H]2CC
InChIInChI=1S/C18H27N3O2/c1-4-10-21-17(22)7-9-18(21)8-6-11-20(16(18)5-2)13-15-12-14(3)23-19-15/h4,12,16H,1,5-11,13H2,2-3H3/t16-,18-/m1/s1
InChIKeyAHQWUAJLYFNYTL-SJLPKXTDSA-N
XLogP2.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 124796122
(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
(5S,10S)-10-ethyl-1-prop-2-enyl-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375597
(5S,10S)-1-(cyclobutylmethyl)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155834757
(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124821175
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 124822749
5-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)-1,2-oxazole-3-carboxamide
CID 97494238
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127023277
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369146

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one (CID 124794901) is (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one is C=CCN1C(=O)CC[C@@]12CCCN(Cc1cc(C)on1)[C@@H]2CC.
What is the InChIKey of (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is AHQWUAJLYFNYTL-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-10-21-17(22)7-9-18(21)8-6-11-20(16(18)5-2)13-15-12-14(3)23-19-15/h4,12,16H,1,5-11,13H2,2-3H3/t16-,18-/m1/s1.
What are the key properties of (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124794901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).