2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide

C21H22FN3O3S — CID 8567008

IUPAC2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1
InChIInChI=1S/C21H22FN3O3S/c1-14-5-3-4-6-16(14)11-12-23-19(26)13-29-21-25-24-20(28-21)15(2)27-18-9-7-17(22)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyOWWFNDUVGHLNAD-OAHLLOKOSA-N
MW415.49 g/mol
LogP4.11
Rot. Bonds9

About 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 8567008) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID8567008
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1
InChIInChI=1S/C21H22FN3O3S/c1-14-5-3-4-6-16(14)11-12-23-19(26)13-29-21-25-24-20(28-21)15(2)27-18-9-7-17(22)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyOWWFNDUVGHLNAD-OAHLLOKOSA-N
XLogP4.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 24573617
N-benzyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7405326
2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 24573644
N-(2-cyanoethyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957670
2-[[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
CID 8567021
N-(3-fluoro-4-methylphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957658
2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 7957814
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 7957815
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957782
N-(2-acetylphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7405172
N-(2,5-difluorophenyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957656
N-[(4-benzylmorpholin-2-yl)methyl]-2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24575470

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 8567008) is 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1.
What is the InChIKey of 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is OWWFNDUVGHLNAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-14-5-3-4-6-16(14)11-12-23-19(26)13-29-21-25-24-20(28-21)15(2)27-18-9-7-17(22)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 8567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).