N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide

C24H22N4O3 — CID 56502457

IUPACN'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide
SMILESCc1ccc(-c2nnc(CO/N=C(/N)c3ccccc3OCc3ccccc3)o2)cc1
InChIInChI=1S/C24H22N4O3/c1-17-11-13-19(14-12-17)24-27-26-22(31-24)16-30-28-23(25)20-9-5-6-10-21(20)29-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,25,28)
InChIKeyAGCYCPNXECTKNG-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.46
Rot. Bonds8

About N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide

N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide (PubChem CID 56502457) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide
PubChem CID56502457
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide
SMILESCc1ccc(-c2nnc(CO/N=C(/N)c3ccccc3OCc3ccccc3)o2)cc1
InChIInChI=1S/C24H22N4O3/c1-17-11-13-19(14-12-17)24-27-26-22(31-24)16-30-28-23(25)20-9-5-6-10-21(20)29-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,25,28)
InChIKeyAGCYCPNXECTKNG-UHFFFAOYSA-N
XLogP4.46
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.46
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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Related Compounds

N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
2-phenylmethoxy-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzenecarboximidamide
CID 56500734
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxyimino]propanedinitrile
CID 155067987
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731970
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-ethoxybenzoate
CID 16523857
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide
CID 95045003
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-methylphenoxy)acetate
CID 7767710
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide (CID 56502457) is N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide is Cc1ccc(-c2nnc(CO/N=C(/N)c3ccccc3OCc3ccccc3)o2)cc1.
What is the InChIKey of N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide?
The InChIKey is AGCYCPNXECTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-17-11-13-19(14-12-17)24-27-26-22(31-24)16-30-28-23(25)20-9-5-6-10-21(20)29-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,25,28).
What are the key properties of N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide?
N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide has a molecular weight of 414.47 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 56502457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).