4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide

C15H13ClN4O3S — CID 2745260

IUPAC4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1-c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O3S/c1-8-13(14(20-23-8)15(21)19-17)11-7-24-12(18-11)6-22-10-4-2-9(16)3-5-10/h2-5,7H,6,17H2,1H3,(H,19,21)
InChIKeyYJKASRAMMWDASY-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide

4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2745260) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2745260
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1-c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O3S/c1-8-13(14(20-23-8)15(21)19-17)11-7-24-12(18-11)6-22-10-4-2-9(16)3-5-10/h2-5,7H,6,17H2,1H3,(H,19,21)
InChIKeyYJKASRAMMWDASY-UHFFFAOYSA-N
XLogP2.94
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
[2-(4-chloroanilino)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 46648785
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 24533421
2-[[4-(4-chlorophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 11427951
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
4-[(4-chlorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19443664
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2745260) is 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1onc(C(=O)NN)c1-c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is YJKASRAMMWDASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-8-13(14(20-23-8)15(21)19-17)11-7-24-12(18-11)6-22-10-4-2-9(16)3-5-10/h2-5,7H,6,17H2,1H3,(H,19,21).
What are the key properties of 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide?
4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 364.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2745260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).