N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine

C15H11F2N3O2 — CID 6011166

IUPACN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
SMILESFC(F)Oc1ccccc1/C=N\Nc1nc2ccccc2o1
InChIInChI=1S/C15H11F2N3O2/c16-14(17)21-12-7-3-1-5-10(12)9-18-20-15-19-11-6-2-4-8-13(11)22-15/h1-9,14H,(H,19,20)/b18-9-
InChIKeyOSDGXTXDLILUHV-NVMNQCDNSA-N
MW303.27 g/mol
LogP3.88
Rot. Bonds5

About N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine

N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 6011166) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID6011166
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
SMILESFC(F)Oc1ccccc1/C=N\Nc1nc2ccccc2o1
InChIInChI=1S/C15H11F2N3O2/c16-14(17)21-12-7-3-1-5-10(12)9-18-20-15-19-11-6-2-4-8-13(11)22-15/h1-9,14H,(H,19,20)/b18-9-
InChIKeyOSDGXTXDLILUHV-NVMNQCDNSA-N
XLogP3.88
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine (CID 6011166) is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine is FC(F)Oc1ccccc1/C=N\Nc1nc2ccccc2o1.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is OSDGXTXDLILUHV-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-14(17)21-12-7-3-1-5-10(12)9-18-20-15-19-11-6-2-4-8-13(11)22-15/h1-9,14H,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine?
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 303.27 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 6011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).