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

C11H9ClN4O5 — CID 63576481

IUPAC5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccc([N+](=O)[O-])cc2Cl)on1
InChIInChI=1S/C11H9ClN4O5/c12-8-3-6(16(18)19)1-2-10(8)20-5-7-4-9(15-21-7)11(17)14-13/h1-4H,5,13H2,(H,14,17)
InChIKeyJVZBVUPRMWSFQJ-UHFFFAOYSA-N
MW312.67 g/mol
LogP1.42
Rot. Bonds5

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

5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63576481) has the molecular formula C11H9ClN4O5 and a molecular weight of 312.67 g/mol. Its IUPAC name is 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63576481
Molecular FormulaC11H9ClN4O5
Molecular Weight312.67 g/mol
Exact Mass312.03
IUPAC Name5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(COc2ccc([N+](=O)[O-])cc2Cl)on1
InChIInChI=1S/C11H9ClN4O5/c12-8-3-6(16(18)19)1-2-10(8)20-5-7-4-9(15-21-7)11(17)14-13/h1-4H,5,13H2,(H,14,17)
InChIKeyJVZBVUPRMWSFQJ-UHFFFAOYSA-N
XLogP1.42
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
3-[(2-chloro-4-nitrophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 47364532
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19461860
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]furan-2-carboxamide
CID 19461861
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide
CID 91686949
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461862
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19463560
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide (CID 63576481) is 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(COc2ccc([N+](=O)[O-])cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is JVZBVUPRMWSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O5/c12-8-3-6(16(18)19)1-2-10(8)20-5-7-4-9(15-21-7)11(17)14-13/h1-4H,5,13H2,(H,14,17).
What are the key properties of 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 312.67 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-nitrophenoxy)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63576481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).