2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

C16H25N3O3S — CID 131662609

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1
InChIInChI=1S/C16H25N3O3S/c1-11-14(12(2)22-17-11)6-19-9-16(10-19)5-13(8-23-16)21-7-15(20)18(3)4/h13H,5-10H2,1-4H3
InChIKeyYFGQXETVAHKCIU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.46
Rot. Bonds5

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 131662609) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
PubChem CID131662609
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1
InChIInChI=1S/C16H25N3O3S/c1-11-14(12(2)22-17-11)6-19-9-16(10-19)5-13(8-23-16)21-7-15(20)18(3)4/h13H,5-10H2,1-4H3
InChIKeyYFGQXETVAHKCIU-UHFFFAOYSA-N
XLogP1.46
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131642126
4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155830653
N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 124801312
N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131646725
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 133142947
2-[[2-(1,3-benzodioxol-5-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155860519
N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131692481
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124811680
7-ethoxy-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831298
2-[(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-N,N-dimethylacetamide
CID 97482371
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (CID 131662609) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is Cc1noc(C)c1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is YFGQXETVAHKCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11-14(12(2)22-17-11)6-19-9-16(10-19)5-13(8-23-16)21-7-15(20)18(3)4/h13H,5-10H2,1-4H3.
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 339.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131662609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).