(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

C17H18FN3O3 — CID 56668760

IUPAC(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCc1ccccc1F)N1CCOCC1
InChIInChI=1S/C17H18FN3O3/c18-15-6-2-1-4-13(15)12-24-17-14(5-3-7-19-17)16(20-22)21-8-10-23-11-9-21/h1-7,22H,8-12H2/b20-16-
InChIKeyLQKFRLHUFCBNRE-SILNSSARSA-N
MW331.35 g/mol
LogP2.27
Rot. Bonds4

About (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56668760) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
PubChem CID56668760
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCc1ccccc1F)N1CCOCC1
InChIInChI=1S/C17H18FN3O3/c18-15-6-2-1-4-13(15)12-24-17-14(5-3-7-19-17)16(20-22)21-8-10-23-11-9-21/h1-7,22H,8-12H2/b20-16-
InChIKeyLQKFRLHUFCBNRE-SILNSSARSA-N
XLogP2.27
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (CID 56668760) is (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is O/N=C(/c1cccnc1OCc1ccccc1F)N1CCOCC1.
What is the InChIKey of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is LQKFRLHUFCBNRE-SILNSSARSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-15-6-2-1-4-13(15)12-24-17-14(5-3-7-19-17)16(20-22)21-8-10-23-11-9-21/h1-7,22H,8-12H2/b20-16-.
What are the key properties of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 331.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56668760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).