2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide

C16H11FN4O3 — CID 9084736

IUPAC2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11FN4O3/c17-13-4-2-1-3-12(13)15(23)20-19-14(22)10-5-7-11(8-6-10)16-21-18-9-24-16/h1-9H,(H,19,22)(H,20,23)
InChIKeyNJSLHHBMZJVROU-UHFFFAOYSA-N
MW326.29 g/mol
LogP1.95
Rot. Bonds3

About 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide

2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide (PubChem CID 9084736) has the molecular formula C16H11FN4O3 and a molecular weight of 326.29 g/mol. Its IUPAC name is 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
PubChem CID9084736
Molecular FormulaC16H11FN4O3
Molecular Weight326.29 g/mol
Exact Mass326.08
IUPAC Name2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11FN4O3/c17-13-4-2-1-3-12(13)15(23)20-19-14(22)10-5-7-11(8-6-10)16-21-18-9-24-16/h1-9H,(H,19,22)(H,20,23)
InChIKeyNJSLHHBMZJVROU-UHFFFAOYSA-N
XLogP1.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide
CID 134031148
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N-(2,4-difluorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9078558
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
CID 43354760
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 107318774
N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9092551
2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9093210
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 9073963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide (CID 9084736) is 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide?
The InChIKey is NJSLHHBMZJVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3/c17-13-4-2-1-3-12(13)15(23)20-19-14(22)10-5-7-11(8-6-10)16-21-18-9-24-16/h1-9H,(H,19,22)(H,20,23).
What are the key properties of 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide?
2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide has a molecular weight of 326.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 9084736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).