2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

C17H12F2N4O3S — CID 9401697

IUPAC2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H12F2N4O3S/c18-11-7-5-10(6-8-11)16-22-23-17(26-16)27-9-14(24)20-21-15(25)12-3-1-2-4-13(12)19/h1-8H,9H2,(H,20,24)(H,21,25)
InChIKeyBRHZEBGYJWIUTN-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.57
Rot. Bonds5

About 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 9401697) has the molecular formula C17H12F2N4O3S and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID9401697
Molecular FormulaC17H12F2N4O3S
Molecular Weight390.37 g/mol
Exact Mass390.06
IUPAC Name2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H12F2N4O3S/c18-11-7-5-10(6-8-11)16-22-23-17(26-16)27-9-14(24)20-21-15(25)12-3-1-2-4-13(12)19/h1-8H,9H2,(H,20,24)(H,21,25)
InChIKeyBRHZEBGYJWIUTN-UHFFFAOYSA-N
XLogP2.57
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodophenyl)acetamide
CID 5038347
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CID 5243510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 9401697) is 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is BRHZEBGYJWIUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S/c18-11-7-5-10(6-8-11)16-22-23-17(26-16)27-9-14(24)20-21-15(25)12-3-1-2-4-13(12)19/h1-8H,9H2,(H,20,24)(H,21,25).
What are the key properties of 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 390.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 9401697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).