2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide

C17H27N3O4 — CID 133142947

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CC2(C1)OCCC2COCC(=O)N(C)C
InChIInChI=1S/C17H27N3O4/c1-12-15(13(2)24-18-12)7-20-10-17(11-20)14(5-6-23-17)8-22-9-16(21)19(3)4/h14H,5-11H2,1-4H3
InChIKeyWSCZAICSJZRPBA-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.99
Rot. Bonds6

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 133142947) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
PubChem CID133142947
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CC2(C1)OCCC2COCC(=O)N(C)C
InChIInChI=1S/C17H27N3O4/c1-12-15(13(2)24-18-12)7-20-10-17(11-20)14(5-6-23-17)8-22-9-16(21)19(3)4/h14H,5-11H2,1-4H3
InChIKeyWSCZAICSJZRPBA-UHFFFAOYSA-N
XLogP0.99
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]acetamide
CID 133140038
2-[[2-(2-ethoxyacetyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 131669248
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
2-[[(7S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide
CID 124804983
(4S,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97452413
(4R,5R)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451713
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
2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
CID 146046991
2-[[(3S,3aS,7aR)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127021880
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131662173
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
(8S)-2-[(2,5-dimethylphenyl)methyl]-8-(ethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124870220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 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) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide is Cc1noc(C)c1CN1CC2(C1)OCCC2COCC(=O)N(C)C.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is WSCZAICSJZRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12-15(13(2)24-18-12)7-20-10-17(11-20)14(5-6-23-17)8-22-9-16(21)19(3)4/h14H,5-11H2,1-4H3.
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 337.42 g/mol, XLogP of 0.99, 6 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-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 133142947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).