8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C19H23N3O3 — CID 155873513

IUPAC8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3noc4ccccc34)CC2)CC1=O
InChIInChI=1S/C19H23N3O3/c1-2-21-13-19(12-18(21)24)7-9-22(10-8-19)17(23)11-15-14-5-3-4-6-16(14)25-20-15/h3-6H,2,7-13H2,1H3
InChIKeyMIINCEWMGRNLJI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.23
Rot. Bonds3

About 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155873513) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155873513
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)Cc3noc4ccccc34)CC2)CC1=O
InChIInChI=1S/C19H23N3O3/c1-2-21-13-19(12-18(21)24)7-9-22(10-8-19)17(23)11-15-14-5-3-4-6-16(14)25-20-15/h3-6H,2,7-13H2,1H3
InChIKeyMIINCEWMGRNLJI-UHFFFAOYSA-N
XLogP2.23
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

1'-[2-(1,2-benzoxazol-3-yl)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56895980
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496
2-(1,2-benzoxazol-3-yl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874936
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850189
2-(1,2-benzoxazol-3-yl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 33168189
2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97280143
2-(1,2-benzoxazol-3-yl)-1-[4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 139005169
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987
2-(1,2-benzoxazol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 56813264

Frequently Asked Questions

What is the IUPAC name of 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 155873513) is 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)Cc3noc4ccccc34)CC2)CC1=O.
What is the InChIKey of 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is MIINCEWMGRNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-21-13-19(12-18(21)24)7-9-22(10-8-19)17(23)11-15-14-5-3-4-6-16(14)25-20-15/h3-6H,2,7-13H2,1H3.
What are the key properties of 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).