2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C17H27N5O3 — CID 56753565

IUPAC2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)no1
InChIInChI=1S/C17H27N5O3/c1-13-11-14(19-25-13)18-15(23)16(24)22-8-4-7-21(3)17(12-22)5-9-20(2)10-6-17/h11H,4-10,12H2,1-3H3,(H,18,19,23)
InChIKeyNZCHTIFBFLFCQT-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.55
Rot. Bonds1

About 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 56753565) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID56753565
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)no1
InChIInChI=1S/C17H27N5O3/c1-13-11-14(19-25-13)18-15(23)16(24)22-8-4-7-21(3)17(12-22)5-9-20(2)10-6-17/h11H,4-10,12H2,1-3H3,(H,18,19,23)
InChIKeyNZCHTIFBFLFCQT-UHFFFAOYSA-N
XLogP0.55
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 108986359
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CID 108958534
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
2-[3-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 31134617
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108523995
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902538
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 56756865
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 46996851
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 56753565) is 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)no1.
What is the InChIKey of 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is NZCHTIFBFLFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-13-11-14(19-25-13)18-15(23)16(24)22-8-4-7-21(3)17(12-22)5-9-20(2)10-6-17/h11H,4-10,12H2,1-3H3,(H,18,19,23).
What are the key properties of 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 349.44 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 56753565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).