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

C14H9FN4O5S — CID 7373983

IUPACN-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9FN4O5S/c15-8-3-4-9(10(6-8)19(21)22)16-12(20)7-25-14-18-17-13(24-14)11-2-1-5-23-11/h1-6H,7H2,(H,16,20)
InChIKeyKZJDIGCYZXXQBN-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.11
Rot. Bonds6

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

N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7373983) has the molecular formula C14H9FN4O5S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7373983
Molecular FormulaC14H9FN4O5S
Molecular Weight364.31 g/mol
Exact Mass364.03
IUPAC NameN-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9FN4O5S/c15-8-3-4-9(10(6-8)19(21)22)16-12(20)7-25-14-18-17-13(24-14)11-2-1-5-23-11/h1-6H,7H2,(H,16,20)
InChIKeyKZJDIGCYZXXQBN-UHFFFAOYSA-N
XLogP3.11
TPSA124.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-nitrophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7556674
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9458811
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 692406
N-(2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2972145
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 7808654
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1303799
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4317308
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3995955
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 9067438
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2430503
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2976492

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7373983) is N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KZJDIGCYZXXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O5S/c15-8-3-4-9(10(6-8)19(21)22)16-12(20)7-25-14-18-17-13(24-14)11-2-1-5-23-11/h1-6H,7H2,(H,16,20).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 364.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).