[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine

C9H9ClN4O2 — CID 35754836

IUPAC[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
SMILESNNc1nnc(COc2ccccc2Cl)o1
InChIInChI=1S/C9H9ClN4O2/c10-6-3-1-2-4-7(6)15-5-8-13-14-9(12-11)16-8/h1-4H,5,11H2,(H,12,14)
InChIKeyPNEFTVNYUWYIQO-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.59
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine

[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine (PubChem CID 35754836) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
PubChem CID35754836
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
SMILESNNc1nnc(COc2ccccc2Cl)o1
InChIInChI=1S/C9H9ClN4O2/c10-6-3-1-2-4-7(6)15-5-8-13-14-9(12-11)16-8/h1-4H,5,11H2,(H,12,14)
InChIKeyPNEFTVNYUWYIQO-UHFFFAOYSA-N
XLogP1.59
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 5133168
N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 10860844
[4-[(2-chlorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244126
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 2482597
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
CID 82357475
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 39430952
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine (CID 35754836) is [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine is NNc1nnc(COc2ccccc2Cl)o1.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The InChIKey is PNEFTVNYUWYIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c10-6-3-1-2-4-7(6)15-5-8-13-14-9(12-11)16-8/h1-4H,5,11H2,(H,12,14).
What are the key properties of [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine?
[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine has a molecular weight of 240.65 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine is sourced from PubChem (CID 35754836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).