N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide

C19H18FN3O3S — CID 43975327

IUPACN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)COc3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-2-27-14-9-7-13(8-10-14)11-18-22-23-19(26-18)21-17(24)12-25-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23,24)
InChIKeyYRZVUVCFVQWQQQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.93
Rot. Bonds8

About N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 43975327) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID43975327
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)COc3ccccc3F)o2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-2-27-14-9-7-13(8-10-14)11-18-22-23-19(26-18)21-17(24)12-25-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23,24)
InChIKeyYRZVUVCFVQWQQQ-UHFFFAOYSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975495
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 43975305
2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973670
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43975482
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43975293
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320
2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973535
2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975298
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43974113
3-bromo-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975347

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide (CID 43975327) is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide is CCSc1ccc(Cc2nnc(NC(=O)COc3ccccc3F)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is YRZVUVCFVQWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-2-27-14-9-7-13(8-10-14)11-18-22-23-19(26-18)21-17(24)12-25-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H,21,23,24).
What are the key properties of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide?
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 43975327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).