2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide

C22H19N3O3S — CID 56500734

IUPAC2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide
SMILESN/C(=N/OCc1coc(-c2cccs2)n1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O3S/c23-21(25-28-15-17-14-27-22(24-17)20-11-6-12-29-20)18-9-4-5-10-19(18)26-13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2,23,25)
InChIKeyFSPZEXHXYYKCCC-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds8

About 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide

2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide (PubChem CID 56500734) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide
PubChem CID56500734
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide
SMILESN/C(=N/OCc1coc(-c2cccs2)n1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H19N3O3S/c23-21(25-28-15-17-14-27-22(24-17)20-11-6-12-29-20)18-9-4-5-10-19(18)26-13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2,23,25)
InChIKeyFSPZEXHXYYKCCC-UHFFFAOYSA-N
XLogP4.82
TPSA82.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.82
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide (CID 56500734) is 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide is N/C(=N/OCc1coc(-c2cccs2)n1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide?
The InChIKey is FSPZEXHXYYKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c23-21(25-28-15-17-14-27-22(24-17)20-11-6-12-29-20)18-9-4-5-10-19(18)26-13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2,23,25).
What are the key properties of 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide?
2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide has a molecular weight of 405.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 56500734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).