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

C11H8BrCl2N3O3 — CID 107661607

IUPAC5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cc(Cl)c(Br)cc2Cl)on1
InChIInChI=1S/C11H8BrCl2N3O3/c12-6-2-8(14)10(3-7(6)13)19-4-5-1-9(17-20-5)11(18)16-15/h1-3H,4,15H2,(H,16,18)
InChIKeyAHDVZHJFZISUDM-UHFFFAOYSA-N
MW381.01 g/mol
LogP2.93
Rot. Bonds4

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

5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 107661607) has the molecular formula C11H8BrCl2N3O3 and a molecular weight of 381.01 g/mol. Its IUPAC name is 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID107661607
Molecular FormulaC11H8BrCl2N3O3
Molecular Weight381.01 g/mol
Exact Mass378.91
IUPAC Name5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2cc(Cl)c(Br)cc2Cl)on1
InChIInChI=1S/C11H8BrCl2N3O3/c12-6-2-8(14)10(3-7(6)13)19-4-5-1-9(17-20-5)11(18)16-15/h1-3H,4,15H2,(H,16,18)
InChIKeyAHDVZHJFZISUDM-UHFFFAOYSA-N
XLogP2.93
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.01
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
5-[(4-bromo-2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 107661600
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63576126
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 107661607) is 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2cc(Cl)c(Br)cc2Cl)on1.
What is the InChIKey of 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is AHDVZHJFZISUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O3/c12-6-2-8(14)10(3-7(6)13)19-4-5-1-9(17-20-5)11(18)16-15/h1-3H,4,15H2,(H,16,18).
What are the key properties of 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 381.01 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 107661607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).