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

C16H14N4O4S — CID 7682977

IUPACN'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccco2)o1
InChIInChI=1S/C16H14N4O4S/c1-10-5-2-3-6-11(10)15-19-20-16(24-15)25-9-13(21)17-18-14(22)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyDNBYCGDWQVJXID-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.19
Rot. Bonds5

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

N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 7682977) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID7682977
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccco2)o1
InChIInChI=1S/C16H14N4O4S/c1-10-5-2-3-6-11(10)15-19-20-16(24-15)25-9-13(21)17-18-14(22)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyDNBYCGDWQVJXID-UHFFFAOYSA-N
XLogP2.19
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7816367
4-fluoro-N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 84603540
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
N-(3-ethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3973733
N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
4-tert-butyl-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683145
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682940
N-(2,6-dimethylphenyl)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 7683227
N'-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 7957428
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7629961

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide (CID 7682977) is N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is Cc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccco2)o1.
What is the InChIKey of N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is DNBYCGDWQVJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-10-5-2-3-6-11(10)15-19-20-16(24-15)25-9-13(21)17-18-14(22)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 358.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 7682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).