1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H26N4O4 — CID 166623129

IUPAC1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3c(C)noc3C)CC2)C1=O
InChIInChI=1S/C22H26N4O4/c1-4-25-20(28)22(26(21(25)29)14-17-8-6-5-7-9-17)10-12-24(13-11-22)19(27)18-15(2)23-30-16(18)3/h5-9H,4,10-14H2,1-3H3
InChIKeyHRKPSBYMWVXBRQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.75
Rot. Bonds4

About 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166623129) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166623129
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3c(C)noc3C)CC2)C1=O
InChIInChI=1S/C22H26N4O4/c1-4-25-20(28)22(26(21(25)29)14-17-8-6-5-7-9-17)10-12-24(13-11-22)19(27)18-15(2)23-30-16(18)3/h5-9H,4,10-14H2,1-3H3
InChIKeyHRKPSBYMWVXBRQ-UHFFFAOYSA-N
XLogP2.75
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-ethyl-8-(4-methyl-1,3-thiazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166612461
1-benzyl-3-ethyl-8-(5-ethyl-1,3-oxazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613646
1-benzyl-3-ethyl-8-(5-methylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166612321
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91914391
1-benzyl-8-(4-methyl-1,3-oxazole-5-carbonyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619184
(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
1-benzyl-8-[2-(2,2-difluorocyclopropyl)acetyl]-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622607
1-benzyl-3-(2-methoxyethyl)-8-(1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428107
(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 131681647
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-3-(2-hydroxyethyl)-8-(1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616248
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166623129) is 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)c3c(C)noc3C)CC2)C1=O.
What is the InChIKey of 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HRKPSBYMWVXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-25-20(28)22(26(21(25)29)14-17-8-6-5-7-9-17)10-12-24(13-11-22)19(27)18-15(2)23-30-16(18)3/h5-9H,4,10-14H2,1-3H3.
What are the key properties of 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166623129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).