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

C11H10ClN3O3 — CID 63577021

IUPAC5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccccc2Cl)on1
InChIInChI=1S/C11H10ClN3O3/c12-8-3-1-2-4-10(8)17-6-7-5-9(15-18-7)11(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeyHMJUBCXJMXZRIU-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.51
Rot. Bonds4

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

5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63577021) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63577021
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccccc2Cl)on1
InChIInChI=1S/C11H10ClN3O3/c12-8-3-1-2-4-10(8)17-6-7-5-9(15-18-7)11(16)14-13/h1-5H,6,13H2,(H,14,16)
InChIKeyHMJUBCXJMXZRIU-UHFFFAOYSA-N
XLogP1.51
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.51
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'}

Analyze 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 63577021) is 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2ccccc2Cl)on1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HMJUBCXJMXZRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-8-3-1-2-4-10(8)17-6-7-5-9(15-18-7)11(16)14-13/h1-5H,6,13H2,(H,14,16).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 267.67 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63577021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).