3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide

C24H25N5O2 — CID 126805497

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide
SMILESCc1ccc(-c2cnc(CON=C(N)c3cccc(Cn4nc(C)cc4C)c3)o2)cc1
InChIInChI=1S/C24H25N5O2/c1-16-7-9-20(10-8-16)22-13-26-23(31-22)15-30-28-24(25)21-6-4-5-19(12-21)14-29-18(3)11-17(2)27-29/h4-13H,14-15H2,1-3H3,(H2,25,28)
InChIKeyWFMNZMRYQJBGDK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.35
Rot. Bonds7

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide (PubChem CID 126805497) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide
PubChem CID126805497
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide
SMILESCc1ccc(-c2cnc(CON=C(N)c3cccc(Cn4nc(C)cc4C)c3)o2)cc1
InChIInChI=1S/C24H25N5O2/c1-16-7-9-20(10-8-16)22-13-26-23(31-22)15-30-28-24(25)21-6-4-5-19(12-21)14-29-18(3)11-17(2)27-29/h4-13H,14-15H2,1-3H3,(H2,25,28)
InChIKeyWFMNZMRYQJBGDK-UHFFFAOYSA-N
XLogP4.35
TPSA91.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.35
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 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide (CID 126805497) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide is Cc1ccc(-c2cnc(CON=C(N)c3cccc(Cn4nc(C)cc4C)c3)o2)cc1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide?
The InChIKey is WFMNZMRYQJBGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-7-9-20(10-8-16)22-13-26-23(31-22)15-30-28-24(25)21-6-4-5-19(12-21)14-29-18(3)11-17(2)27-29/h4-13H,14-15H2,1-3H3,(H2,25,28).
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide has a molecular weight of 415.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 126805497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).