4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide

C18H27N5O4 — CID 38416580

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C18H27N5O4/c1-17(2,3)14-19-13(27-22-14)9-7-8-12(24)21-23-15(25)18(20-16(23)26)10-5-4-6-11-18/h4-11H2,1-3H3,(H,20,26)(H,21,24)
InChIKeyRSANDFYEHBBAOJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.98
Rot. Bonds5

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide (PubChem CID 38416580) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
PubChem CID38416580
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C18H27N5O4/c1-17(2,3)14-19-13(27-22-14)9-7-8-12(24)21-23-15(25)18(20-16(23)26)10-5-4-6-11-18/h4-11H2,1-3H3,(H,20,26)(H,21,24)
InChIKeyRSANDFYEHBBAOJ-UHFFFAOYSA-N
XLogP1.98
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 8873646
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36559759
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24537070
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 27895382
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-pyridin-3-ylpropanamide
CID 27533114
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-4-ylazepan-1-yl)butan-1-one
CID 55764637

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide (CID 38416580) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide is CC(C)(C)c1noc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
The InChIKey is RSANDFYEHBBAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-17(2,3)14-19-13(27-22-14)9-7-8-12(24)21-23-15(25)18(20-16(23)26)10-5-4-6-11-18/h4-11H2,1-3H3,(H,20,26)(H,21,24).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide has a molecular weight of 377.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide is sourced from PubChem (CID 38416580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).