2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide

C26H24N4O4S — CID 34659089

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N4O4S/c1-17-22(18(2)34-30-17)16-35-26-21(12-8-14-27-26)25(32)29-28-24(31)15-33-23-13-7-6-11-20(23)19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyACIWQCXBAGALTA-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.49
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 34659089) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID34659089
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N4O4S/c1-17-22(18(2)34-30-17)16-35-26-21(12-8-14-27-26)25(32)29-28-24(31)15-33-23-13-7-6-11-20(23)19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyACIWQCXBAGALTA-UHFFFAOYSA-N
XLogP4.49
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-(pyridine-3-carbonyl)pyridine-3-carbohydrazide
CID 46529148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 24644217
[2-(tert-butylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 18192501
[2-(4-acetamidoanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751139
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 25475060
cyclohexyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 78802072
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 46546742
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751722
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 24644198
2-(2-chlorophenoxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751566

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 34659089) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is ACIWQCXBAGALTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-17-22(18(2)34-30-17)16-35-26-21(12-8-14-27-26)25(32)29-28-24(31)15-33-23-13-7-6-11-20(23)19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 488.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(2-phenylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 34659089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).