3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide

C22H21Cl2N3O5 — CID 30039999

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H21Cl2N3O5/c1-2-30-17-5-3-4-6-18(17)31-13-21(29)27-26-20(28)9-10-22-25-12-19(32-22)15-8-7-14(23)11-16(15)24/h3-8,11-12H,2,9-10,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyOHSJNHRABUFYKI-UHFFFAOYSA-N
MW478.33 g/mol
LogP4.21
Rot. Bonds9

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide (PubChem CID 30039999) has the molecular formula C22H21Cl2N3O5 and a molecular weight of 478.33 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
PubChem CID30039999
Molecular FormulaC22H21Cl2N3O5
Molecular Weight478.33 g/mol
Exact Mass477.09
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H21Cl2N3O5/c1-2-30-17-5-3-4-6-18(17)31-13-21(29)27-26-20(28)9-10-22-25-12-19(32-22)15-8-7-14(23)11-16(15)24/h3-8,11-12H,2,9-10,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyOHSJNHRABUFYKI-UHFFFAOYSA-N
XLogP4.21
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.33
LogP ≤ 54.21
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-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methoxyphenyl)propyl]propanamide
CID 46447057
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120653572
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 37485188
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide (CID 30039999) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide is CCOc1ccccc1OCC(=O)NNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide?
The InChIKey is OHSJNHRABUFYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O5/c1-2-30-17-5-3-4-6-18(17)31-13-21(29)27-26-20(28)9-10-22-25-12-19(32-22)15-8-7-14(23)11-16(15)24/h3-8,11-12H,2,9-10,13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide has a molecular weight of 478.33 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 30039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).