N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C20H24F3N3O6 — CID 165089466

IUPACN-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCCOCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)cc3)CO2)o1
InChIInChI=1S/C20H24F3N3O6/c1-2-28-9-10-29-19-26-25-18(32-19)16-8-5-14(11-31-16)24-17(27)12-30-15-6-3-13(4-7-15)20(21,22)23/h3-4,6-7,14,16H,2,5,8-12H2,1H3,(H,24,27)/t14-,16+/m0/s1
InChIKeyQTRSBRGVSQSQBZ-GOEBONIOSA-N
MW459.42 g/mol
LogP2.92
Rot. Bonds10

About N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 165089466) has the molecular formula C20H24F3N3O6 and a molecular weight of 459.42 g/mol. Its IUPAC name is N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID165089466
Molecular FormulaC20H24F3N3O6
Molecular Weight459.42 g/mol
Exact Mass459.16
IUPAC NameN-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCCOCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)cc3)CO2)o1
InChIInChI=1S/C20H24F3N3O6/c1-2-28-9-10-29-19-26-25-18(32-19)16-8-5-14(11-31-16)24-17(27)12-30-15-6-3-13(4-7-15)20(21,22)23/h3-4,6-7,14,16H,2,5,8-12H2,1H3,(H,24,27)/t14-,16+/m0/s1
InChIKeyQTRSBRGVSQSQBZ-GOEBONIOSA-N
XLogP2.92
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 164975573
2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide
CID 161027150
6-chloro-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-7-fluoroquinoline-2-carboxamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-7-fluoro-6-(trifluoromethyl)quinoline-2-carboxamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-7-fluoro-6-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-(trifluoromethyl)quinazoline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-oxadiazol-2-yl)oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 165089465
2-(4-bromophenoxy)-N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-6-fluoro-7-(trifluoromethyl)quinoxaline-2-carboxamide;N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]acetamide;N-[(3S,6R)-6-(5-propoxy-1,3,4-thiadiazol-2-yl)oxan-3-yl]-6-(trifluoromethyl)quinoxaline-2-carboxamide
CID 164975569
N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
CID 155234443
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234076
(2R,5S)-5-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-N-[6-(trifluoromethyl)quinolin-2-yl]oxane-2-carboxamide
CID 164785903
2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234235
2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
CID 166194032
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 165089466) is N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CCOCCOc1nnc([C@H]2CC[C@H](NC(=O)COc3ccc(C(F)(F)F)cc3)CO2)o1.
What is the InChIKey of N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QTRSBRGVSQSQBZ-GOEBONIOSA-N. The full InChI is InChI=1S/C20H24F3N3O6/c1-2-28-9-10-29-19-26-25-18(32-19)16-8-5-14(11-31-16)24-17(27)12-30-15-6-3-13(4-7-15)20(21,22)23/h3-4,6-7,14,16H,2,5,8-12H2,1H3,(H,24,27)/t14-,16+/m0/s1.
What are the key properties of N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 459.42 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 165089466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).