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

C18H15FN4O3S — CID 84603540

IUPAC4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN4O3S/c1-11-4-2-3-5-14(11)17-22-23-18(26-17)27-10-15(24)20-21-16(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyHIHBTWRXPCWEOZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.74
Rot. Bonds5

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

4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 84603540) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID84603540
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H15FN4O3S/c1-11-4-2-3-5-14(11)17-22-23-18(26-17)27-10-15(24)20-21-16(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,24)(H,21,25)
InChIKeyHIHBTWRXPCWEOZ-UHFFFAOYSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.74
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

N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7682977
4-tert-butyl-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683145
N-(5-fluoro-2-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600871
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9346197
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methylbenzohydrazide
CID 3177868
N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
2-methoxy-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683029
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682940
methyl 4-[[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate
CID 7418287

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 84603540) is 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is Cc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is HIHBTWRXPCWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-11-4-2-3-5-14(11)17-22-23-18(26-17)27-10-15(24)20-21-16(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 386.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 84603540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).