2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide

C17H26N4O3 — CID 72897633

IUPAC2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
SMILESCCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)on1
InChIInChI=1S/C17H26N4O3/c1-4-13-7-15(24-18-13)10-20-8-12-5-6-14(9-20)21(17(12)23)11-16(22)19(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyIHHAISPIFSYTMG-GXTWGEPZSA-N
MW334.42 g/mol
LogP0.75
Rot. Bonds5

About 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide

2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide (PubChem CID 72897633) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
PubChem CID72897633
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
SMILESCCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)on1
InChIInChI=1S/C17H26N4O3/c1-4-13-7-15(24-18-13)10-20-8-12-5-6-14(9-20)21(17(12)23)11-16(22)19(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyIHHAISPIFSYTMG-GXTWGEPZSA-N
XLogP0.75
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(1R,5S)-3-(1-benzofuran-2-ylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133122579
4-[[(1R,5S)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]benzoic acid
CID 133117352
2-[(1S,5R)-3-(4,6-dimethoxypyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 70783249
2-[(1S,5R)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 118787681
2-[(1S,5R)-3-[2-(3,4-dimethylphenoxy)ethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72926473
2-[(1R,5S)-3-[2-(1,2-benzoxazol-3-yl)acetyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133120605
2-[(1R,5S)-3-(4-ethylthiadiazole-5-carbonyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133128944
3-[(1S,5R)-6-[2-(dimethylamino)-2-oxoethyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 91834587
2-[(1S,5R)-3-[3-(4-fluorophenoxy)propyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 72905561
2-[(1R,5S)-3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 133127739
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
CID 97279930
N,N-dimethyl-2-[(1S,5R)-3-(3-methylphenyl)sulfonyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
CID 72884923

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide (CID 72897633) is 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide is CCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)on1.
What is the InChIKey of 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide?
The InChIKey is IHHAISPIFSYTMG-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-4-13-7-15(24-18-13)10-20-8-12-5-6-14(9-20)21(17(12)23)11-16(22)19(2)3/h7,12,14H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide?
2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide has a molecular weight of 334.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 72897633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).