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

C17H13ClN4O3S — CID 7907046

IUPACN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H13ClN4O3S/c18-13-8-6-12(7-9-13)16-21-22-17(25-16)26-10-14(23)19-20-15(24)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,20,24)
InChIKeyGKSRWURFVHPERS-UHFFFAOYSA-N
MW388.84 g/mol
LogP2.94
Rot. Bonds5

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

N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 7907046) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID7907046
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC NameN'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H13ClN4O3S/c18-13-8-6-12(7-9-13)16-21-22-17(25-16)26-10-14(23)19-20-15(24)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,20,24)
InChIKeyGKSRWURFVHPERS-UHFFFAOYSA-N
XLogP2.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 52.94
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

4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methylbenzohydrazide
CID 3177868
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 8707982
N'-[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 18287612
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521320
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
N-(2-benzylpyrazol-3-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42332993
N'-[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 71596649
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78856959

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 7907046) is N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is GKSRWURFVHPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c18-13-8-6-12(7-9-13)16-21-22-17(25-16)26-10-14(23)19-20-15(24)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,23)(H,20,24).
What are the key properties of N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 388.84 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 7907046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).