5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide

C12H12ClN3O3 — CID 63586476

IUPAC5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C12H12ClN3O3/c13-10-4-2-1-3-8(10)6-18-7-9-5-11(16-19-9)12(17)15-14/h1-5H,6-7,14H2,(H,15,17)
InChIKeyYTVCRWADLPGTAL-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.65
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide

5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63586476) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63586476
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COCc2ccccc2Cl)on1
InChIInChI=1S/C12H12ClN3O3/c13-10-4-2-1-3-8(10)6-18-7-9-5-11(16-19-9)12(17)15-14/h1-5H,6-7,14H2,(H,15,17)
InChIKeyYTVCRWADLPGTAL-UHFFFAOYSA-N
XLogP1.65
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.65
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-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55072783
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63576126
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
3-[(2-chlorophenyl)methoxy]propanehydrazide
CID 63586466
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[(4-bromo-2,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 107661607
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576481

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide (CID 63586476) is 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COCc2ccccc2Cl)on1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is YTVCRWADLPGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-10-4-2-1-3-8(10)6-18-7-9-5-11(16-19-9)12(17)15-14/h1-5H,6-7,14H2,(H,15,17).
What are the key properties of 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 281.70 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63586476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).