6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide

C20H15FN4O3S — CID 126807610

IUPAC6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide
SMILESNC(=NOCc1ncc(-c2cccs2)o1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H15FN4O3S/c21-14-4-6-15(7-5-14)27-18-8-3-13(10-23-18)20(22)25-26-12-19-24-11-16(28-19)17-2-1-9-29-17/h1-11H,12H2,(H2,22,25)
InChIKeyMEBQLBNDOADULM-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.57
Rot. Bonds7

About 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide

6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide (PubChem CID 126807610) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide
PubChem CID126807610
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide
SMILESNC(=NOCc1ncc(-c2cccs2)o1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H15FN4O3S/c21-14-4-6-15(7-5-14)27-18-8-3-13(10-23-18)20(22)25-26-12-19-24-11-16(28-19)17-2-1-9-29-17/h1-11H,12H2,(H2,22,25)
InChIKeyMEBQLBNDOADULM-UHFFFAOYSA-N
XLogP4.57
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide (CID 126807610) is 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide is NC(=NOCc1ncc(-c2cccs2)o1)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide?
The InChIKey is MEBQLBNDOADULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-14-4-6-15(7-5-14)27-18-8-3-13(10-23-18)20(22)25-26-12-19-24-11-16(28-19)17-2-1-9-29-17/h1-11H,12H2,(H2,22,25).
What are the key properties of 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide?
6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide has a molecular weight of 410.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 126807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).