2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide

C20H19ClN4O5S — CID 3154031

IUPAC2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
SMILESCc1ccccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN4O5S/c1-13-4-2-3-5-16(13)29-11-19-24-25-20(30-19)31-12-18(27)23-22-17(26)10-28-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMXRKVVJSKYHBKY-UHFFFAOYSA-N
MW462.92 g/mol
LogP2.93
Rot. Bonds9

About 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide

2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide (PubChem CID 3154031) has the molecular formula C20H19ClN4O5S and a molecular weight of 462.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
PubChem CID3154031
Molecular FormulaC20H19ClN4O5S
Molecular Weight462.92 g/mol
Exact Mass462.08
IUPAC Name2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
SMILESCc1ccccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN4O5S/c1-13-4-2-3-5-16(13)29-11-19-24-25-20(30-19)31-12-18(27)23-22-17(26)10-28-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMXRKVVJSKYHBKY-UHFFFAOYSA-N
XLogP2.93
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide 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-dichlorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 19060483
2-[(4-chlorophenoxy)methyl]-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 55323791
N-(4-fluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3146739
2-[[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-methylacetamide
CID 9404514
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126024053
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
N-butyl-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78763983
2-[[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
CID 9404518
1-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78763812
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 4811629
2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 3238542
2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 92645254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide (CID 3154031) is 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide is Cc1ccccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
The InChIKey is MXRKVVJSKYHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S/c1-13-4-2-3-5-16(13)29-11-19-24-25-20(30-19)31-12-18(27)23-22-17(26)10-28-15-8-6-14(21)7-9-15/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide?
2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide has a molecular weight of 462.92 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide is sourced from PubChem (CID 3154031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).