N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H11F2N5O2S — CID 3626957

IUPACN-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N5O2S/c18-11-6-5-9(7-12(11)19)20-14(25)8-27-17-24-23-16(26-17)15-10-3-1-2-4-13(10)21-22-15/h1-7H,8H2,(H,20,25)(H,21,22)
InChIKeyUCETYWDOZASFPN-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.62
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3626957) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3626957
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC NameN-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2N5O2S/c18-11-6-5-9(7-12(11)19)20-14(25)8-27-17-24-23-16(26-17)15-10-3-1-2-4-13(10)21-22-15/h1-7H,8H2,(H,20,25)(H,21,22)
InChIKeyUCETYWDOZASFPN-UHFFFAOYSA-N
XLogP3.62
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655
N-(3-fluoro-4-methylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3979982
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5243510
N-(2,5-difluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636223
N-(3,4-difluorophenyl)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7661300
N-(3,4-difluorophenyl)-2-[[2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 17484807
N-(3,5-dichlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2348049
N-(4-fluorophenyl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3133284
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(9-ethylcarbazol-3-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2349516

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3626957) is N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UCETYWDOZASFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c18-11-6-5-9(7-12(11)19)20-14(25)8-27-17-24-23-16(26-17)15-10-3-1-2-4-13(10)21-22-15/h1-7H,8H2,(H,20,25)(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 387.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[5-(1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3626957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).