2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C17H14F2N4O5S — CID 2681244

IUPAC2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14F2N4O5S/c18-15(19)27-11-5-3-10(4-6-11)14-22-23-17(28-14)29-9-13(24)21-16(25)20-8-12-2-1-7-26-12/h1-7,15H,8-9H2,(H2,20,21,24,25)
InChIKeyRJALOEQNIKPQJB-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.05
Rot. Bonds8

About 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2681244) has the molecular formula C17H14F2N4O5S and a molecular weight of 424.39 g/mol. Its IUPAC name is 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2681244
Molecular FormulaC17H14F2N4O5S
Molecular Weight424.39 g/mol
Exact Mass424.07
IUPAC Name2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14F2N4O5S/c18-15(19)27-11-5-3-10(4-6-11)14-22-23-17(28-14)29-9-13(24)21-16(25)20-8-12-2-1-7-26-12/h1-7,15H,8-9H2,(H2,20,21,24,25)
InChIKeyRJALOEQNIKPQJB-UHFFFAOYSA-N
XLogP3.05
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-Furan-2-ylmethyl-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 654666
N-(2-furylmethyl)-2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 1326212
N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2105426
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2579270
1-[2-[[5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 7661135
2-({5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]propanamide
CID 24816977
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2649562
N-({5-[({[(Furan-2-YL)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-YL}methyl)-4-methoxybenzamide
CID 4152361
2-Fluoro-N-({5-[({[(furan-2-YL)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-YL}methyl)benzamide
CID 5206945
2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 6915208
N-((5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 7205213
2,6-difluoro-N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502456

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2681244) is 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is RJALOEQNIKPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O5S/c18-15(19)27-11-5-3-10(4-6-11)14-22-23-17(28-14)29-9-13(24)21-16(25)20-8-12-2-1-7-26-12/h1-7,15H,8-9H2,(H2,20,21,24,25).
What are the key properties of 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 424.39 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2681244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).