5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

C11H9Cl2N3O3 — CID 63575726

IUPAC5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C11H9Cl2N3O3/c12-8-2-1-6(3-9(8)13)18-5-7-4-10(16-19-7)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyGMQCDZHSMGHFFL-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.16
Rot. Bonds4

About 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide

5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63575726) has the molecular formula C11H9Cl2N3O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63575726
Molecular FormulaC11H9Cl2N3O3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C11H9Cl2N3O3/c12-8-2-1-6(3-9(8)13)18-5-7-4-10(16-19-7)11(17)15-14/h1-4H,5,14H2,(H,15,17)
InChIKeyGMQCDZHSMGHFFL-UHFFFAOYSA-N
XLogP2.16
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
CID 116804129
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 63575726) is 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is GMQCDZHSMGHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3/c12-8-2-1-6(3-9(8)13)18-5-7-4-10(16-19-7)11(17)15-14/h1-4H,5,14H2,(H,15,17).
What are the key properties of 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 302.12 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63575726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).