2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide

C20H24F3N3O6 — CID 161027150

IUPAC2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@@H]2CC[C@@H](c3nnc(OCC(C)OC(F)(F)F)o3)OC2)cc1
InChIInChI=1S/C20H24F3N3O6/c1-12-3-6-15(7-4-12)28-11-17(27)24-14-5-8-16(29-10-14)18-25-26-19(31-18)30-9-13(2)32-20(21,22)23/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3,(H,24,27)/t13?,14-,16+/m1/s1
InChIKeyTZDFKQYUWAAHCD-VVRWDSKXSA-N
MW459.42 g/mol
LogP3.10
Rot. Bonds9

About 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide

2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide (PubChem CID 161027150) has the molecular formula C20H24F3N3O6 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide
PubChem CID161027150
Molecular FormulaC20H24F3N3O6
Molecular Weight459.42 g/mol
Exact Mass459.16
IUPAC Name2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@@H]2CC[C@@H](c3nnc(OCC(C)OC(F)(F)F)o3)OC2)cc1
InChIInChI=1S/C20H24F3N3O6/c1-12-3-6-15(7-4-12)28-11-17(27)24-14-5-8-16(29-10-14)18-25-26-19(31-18)30-9-13(2)32-20(21,22)23/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3,(H,24,27)/t13?,14-,16+/m1/s1
InChIKeyTZDFKQYUWAAHCD-VVRWDSKXSA-N
XLogP3.10
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,6R)-6-[5-(2-ethoxyethoxy)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 165089466
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
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-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
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
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
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
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide (CID 161027150) is 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide is Cc1ccc(OCC(=O)N[C@@H]2CC[C@@H](c3nnc(OCC(C)OC(F)(F)F)o3)OC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide?
The InChIKey is TZDFKQYUWAAHCD-VVRWDSKXSA-N. The full InChI is InChI=1S/C20H24F3N3O6/c1-12-3-6-15(7-4-12)28-11-17(27)24-14-5-8-16(29-10-14)18-25-26-19(31-18)30-9-13(2)32-20(21,22)23/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3,(H,24,27)/t13?,14-,16+/m1/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide?
2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide has a molecular weight of 459.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(3R,6S)-6-[5-[2-(trifluoromethoxy)propoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]acetamide is sourced from PubChem (CID 161027150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).