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

C13H13ClN4O3S — CID 8707982

IUPAC4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN4O3S/c1-2-11-16-18-13(21-11)22-7-10(19)15-17-12(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,15,19)(H,17,20)
InChIKeyOUTXXFCMGQCMFX-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.84
Rot. Bonds5

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

4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 8707982) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID8707982
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC Name4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H13ClN4O3S/c1-2-11-16-18-13(21-11)22-7-10(19)15-17-12(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,15,19)(H,17,20)
InChIKeyOUTXXFCMGQCMFX-UHFFFAOYSA-N
XLogP1.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.84
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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7907046
4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579
4-chloro-N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 864298
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methylbenzohydrazide
CID 3177868
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-4-ylacetamide
CID 4044910
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
N'-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7810350
N-(2,4-difluorophenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3917964
4-chloro-N'-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 4261050
N-butyl-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78763983
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
CID 3154031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 8707982) is 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is CCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is OUTXXFCMGQCMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S/c1-2-11-16-18-13(21-11)22-7-10(19)15-17-12(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,15,19)(H,17,20).
What are the key properties of 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 340.79 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 8707982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).