N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C21H22FN3O3S — CID 5192380

IUPACN-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C21H22FN3O3S/c1-14-12-15(6-11-18(14)27-2)4-3-5-20-24-25-21(28-20)29-13-19(26)23-17-9-7-16(22)8-10-17/h6-12H,3-5,13H2,1-2H3,(H,23,26)
InChIKeyLBSNSOWJLIAIRF-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.43
Rot. Bonds9

About N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 5192380) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID5192380
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C21H22FN3O3S/c1-14-12-15(6-11-18(14)27-2)4-3-5-20-24-25-21(28-20)29-13-19(26)23-17-9-7-16(22)8-10-17/h6-12H,3-5,13H2,1-2H3,(H,23,26)
InChIKeyLBSNSOWJLIAIRF-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(3-fluoro-2-methylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2295372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
1-({[5-(4-Methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-phenylpiperazine
CID 1285137
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 1289607
2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1314307
N-(5-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2188688
2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-phenylacetamide
CID 3407446
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
CID 3998519
2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
CID 4023844
N-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4274089
N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 4303657
N-(4-Fluorophenyl)-2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 4391531

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 5192380) is N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1C.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LBSNSOWJLIAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-14-12-15(6-11-18(14)27-2)4-3-5-20-24-25-21(28-20)29-13-19(26)23-17-9-7-16(22)8-10-17/h6-12H,3-5,13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 5192380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).