3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one

C18H21N3O4 — CID 163716986

IUPAC3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one
SMILESNNOc1cccc(CC2COC(=O)C2Cc2cccc(ON)c2)c1
InChIInChI=1S/C18H21N3O4/c19-21-25-16-6-2-3-12(9-16)7-14-11-23-18(22)17(14)10-13-4-1-5-15(8-13)24-20/h1-6,8-9,14,17,21H,7,10-11,19-20H2
InChIKeyKOFKPVUCJZUHIN-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.27
Rot. Bonds7

About 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one

3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one (PubChem CID 163716986) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one
PubChem CID163716986
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one
SMILESNNOc1cccc(CC2COC(=O)C2Cc2cccc(ON)c2)c1
InChIInChI=1S/C18H21N3O4/c19-21-25-16-6-2-3-12(9-16)7-14-11-23-18(22)17(14)10-13-4-1-5-15(8-13)24-20/h1-6,8-9,14,17,21H,7,10-11,19-20H2
InChIKeyKOFKPVUCJZUHIN-UHFFFAOYSA-N
XLogP1.27
TPSA108.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one (CID 163716986) is 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one is NNOc1cccc(CC2COC(=O)C2Cc2cccc(ON)c2)c1.
What is the InChIKey of 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one?
The InChIKey is KOFKPVUCJZUHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c19-21-25-16-6-2-3-12(9-16)7-14-11-23-18(22)17(14)10-13-4-1-5-15(8-13)24-20/h1-6,8-9,14,17,21H,7,10-11,19-20H2.
What are the key properties of 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one?
3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one has a molecular weight of 343.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminooxyphenyl)methyl]-4-[(3-hydrazinyloxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 163716986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).