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

C16H13F2N3O5S — CID 17023933

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O5S/c1-23-12-7-9(4-5-10(12)25-15(17)18)19-13(22)8-27-16-21-20-14(26-16)11-3-2-6-24-11/h2-7,15H,8H2,1H3,(H,19,22)
InChIKeyQJZLAXRYLLFTBU-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.67
Rot. Bonds8

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

N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 17023933) has the molecular formula C16H13F2N3O5S and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID17023933
Molecular FormulaC16H13F2N3O5S
Molecular Weight397.36 g/mol
Exact Mass397.05
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O5S/c1-23-12-7-9(4-5-10(12)25-15(17)18)19-13(22)8-27-16-21-20-14(26-16)11-3-2-6-24-11/h2-7,15H,8H2,1H3,(H,19,22)
InChIKeyQJZLAXRYLLFTBU-UHFFFAOYSA-N
XLogP3.67
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 1160631
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
N-(5-tert-butyl-2-methoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2402004
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 692406
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381
N-(4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4274089
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 43952703
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562394
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5161335
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
N-(3,4-dimethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371528

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 17023933) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QJZLAXRYLLFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O5S/c1-23-12-7-9(4-5-10(12)25-15(17)18)19-13(22)8-27-16-21-20-14(26-16)11-3-2-6-24-11/h2-7,15H,8H2,1H3,(H,19,22).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 397.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17023933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).