N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

C20H20N2O5Se — CID 141357402

IUPACN-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(-c2c[se]c(C(=NO)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O5Se/c1-24-14-7-5-12(6-8-14)15-11-28-20(21-15)18(22-23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11,23H,1-4H3
InChIKeyKWMCOFDPTQRHAS-UHFFFAOYSA-N
MW447.35 g/mol
LogP3.07
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 141357402) has the molecular formula C20H20N2O5Se and a molecular weight of 447.35 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID141357402
Molecular FormulaC20H20N2O5Se
Molecular Weight447.35 g/mol
Exact Mass448.05
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(-c2c[se]c(C(=NO)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O5Se/c1-24-14-7-5-12(6-8-14)15-11-28-20(21-15)18(22-23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11,23H,1-4H3
InChIKeyKWMCOFDPTQRHAS-UHFFFAOYSA-N
XLogP3.07
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[phenyl-(4-phenyl-1,3-selenazol-2-yl)methylidene]hydroxylamine
CID 136703535
4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
CID 90680976
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 53364194
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 142051549
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (CID 141357402) is N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is COc1ccc(-c2c[se]c(C(=NO)c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is KWMCOFDPTQRHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5Se/c1-24-14-7-5-12(6-8-14)15-11-28-20(21-15)18(22-23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11,23H,1-4H3.
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 447.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-selenazol-2-yl]-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 141357402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).