(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

C16H13FN4O2 — CID 56668589

IUPAC(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2cccnc2Oc2ccc(F)cc2)cn1
InChIInChI=1S/C16H13FN4O2/c1-11-9-21(10-19-11)15(20-22)14-3-2-8-18-16(14)23-13-6-4-12(17)5-7-13/h2-10,22H,1H3/b20-15-
InChIKeyLSSSIQMRYPVTFM-HKWRFOASSA-N
MW312.30 g/mol
LogP3.20
Rot. Bonds3

About (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56668589) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56668589
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2cccnc2Oc2ccc(F)cc2)cn1
InChIInChI=1S/C16H13FN4O2/c1-11-9-21(10-19-11)15(20-22)14-3-2-8-18-16(14)23-13-6-4-12(17)5-7-13/h2-10,22H,1H3/b20-15-
InChIKeyLSSSIQMRYPVTFM-HKWRFOASSA-N
XLogP3.20
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56668589) is (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2cccnc2Oc2ccc(F)cc2)cn1.
What is the InChIKey of (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is LSSSIQMRYPVTFM-HKWRFOASSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-11-9-21(10-19-11)15(20-22)14-3-2-8-18-16(14)23-13-6-4-12(17)5-7-13/h2-10,22H,1H3/b20-15-.
What are the key properties of (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 312.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(4-fluorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56668589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).