3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide

C21H19Cl2N3O5 — CID 55572324

IUPAC3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C21H19Cl2N3O5/c1-3-29-15-9-4-5-10-16(15)30-11-17(27)24-25-21(28)18-12(2)31-26-20(18)19-13(22)7-6-8-14(19)23/h4-10H,3,11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKQNXVFNKLYJSSY-UHFFFAOYSA-N
MW464.31 g/mol
LogP4.20
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide

3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 55572324) has the molecular formula C21H19Cl2N3O5 and a molecular weight of 464.31 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID55572324
Molecular FormulaC21H19Cl2N3O5
Molecular Weight464.31 g/mol
Exact Mass463.07
IUPAC Name3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C21H19Cl2N3O5/c1-3-29-15-9-4-5-10-16(15)30-11-17(27)24-25-21(28)18-12(2)31-26-20(18)19-13(22)7-6-8-14(19)23/h4-10H,3,11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKQNXVFNKLYJSSY-UHFFFAOYSA-N
XLogP4.20
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 54.20
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

3-(2,6-dichlorophenyl)-N-(2-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1365098
3-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26259312
3-(2-chloro-6-fluorophenyl)-N'-(4-ethoxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26261602
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
CID 36858937
3-(2-chloro-6-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9161472
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea
CID 3695427
1-tert-butyl-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]urea
CID 2798113
3-(2,6-dichlorophenyl)-N'-[2-[(2,4-dichlorophenyl)methylideneamino]oxyacetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2804484
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide (CID 55572324) is 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is KQNXVFNKLYJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O5/c1-3-29-15-9-4-5-10-16(15)30-11-17(27)24-25-21(28)18-12(2)31-26-20(18)19-13(22)7-6-8-14(19)23/h4-10H,3,11H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide?
3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 464.31 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 55572324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).