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

C19H14FN5O3S — CID 135840710

IUPAC2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H14FN5O3S/c20-14-7-3-1-6-12(14)17(27)23-22-16(26)10-29-19-25-24-18(28-19)13-9-21-15-8-4-2-5-11(13)15/h1-9,21H,10H2,(H,22,26)(H,23,27)
InChIKeyOFHRIXALQWVTQS-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.91
Rot. Bonds5

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

2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 135840710) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID135840710
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC Name2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H14FN5O3S/c20-14-7-3-1-6-12(14)17(27)23-22-16(26)10-29-19-25-24-18(28-19)13-9-21-15-8-4-2-5-11(13)15/h1-9,21H,10H2,(H,22,26)(H,23,27)
InChIKeyOFHRIXALQWVTQS-UHFFFAOYSA-N
XLogP2.91
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide with MolForge

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Related Compounds

2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
N-(2,5-difluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636223
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
N-tert-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 858948
N-(4-bromo-2-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135710173
N-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxybenzamide
CID 135623548
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655
N-(tert-butylcarbamoyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2472345
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 2551426
N-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938
N-(2-benzoyl-4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2347209

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 135840710) is 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is OFHRIXALQWVTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c20-14-7-3-1-6-12(14)17(27)23-22-16(26)10-29-19-25-24-18(28-19)13-9-21-15-8-4-2-5-11(13)15/h1-9,21H,10H2,(H,22,26)(H,23,27).
What are the key properties of 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 411.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 135840710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).