(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

C17H18FN3O3 — CID 56682862

IUPAC(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CCOCC2)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C17H18FN3O3/c1-12-5-6-15(16(20-22)21-7-9-23-10-8-21)17(19-12)24-14-4-2-3-13(18)11-14/h2-6,11,22H,7-10H2,1H3/b20-16-
InChIKeySOFGYFOLJPCYIZ-SILNSSARSA-N
MW331.35 g/mol
LogP2.79
Rot. Bonds3

About (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56682862) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
PubChem CID56682862
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)N2CCOCC2)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C17H18FN3O3/c1-12-5-6-15(16(20-22)21-7-9-23-10-8-21)17(19-12)24-14-4-2-3-13(18)11-14/h2-6,11,22H,7-10H2,1H3/b20-16-
InChIKeySOFGYFOLJPCYIZ-SILNSSARSA-N
XLogP2.79
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.79
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-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (CID 56682862) is (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is Cc1ccc(/C(=N/O)N2CCOCC2)c(Oc2cccc(F)c2)n1.
What is the InChIKey of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is SOFGYFOLJPCYIZ-SILNSSARSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-12-5-6-15(16(20-22)21-7-9-23-10-8-21)17(19-12)24-14-4-2-3-13(18)11-14/h2-6,11,22H,7-10H2,1H3/b20-16-.
What are the key properties of (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 331.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(3-fluorophenoxy)-6-methyl-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56682862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).