(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine

C23H22N4O — CID 139234108

IUPAC(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine
SMILESCC(C)c1ccc(Cn2cccc2/C=N/c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H22N4O/c1-17(2)19-12-10-18(11-13-19)16-27-14-6-9-21(27)15-24-23-26-25-22(28-23)20-7-4-3-5-8-20/h3-15,17H,16H2,1-2H3/b24-15+
InChIKeyMTEKXGLGLQYIQW-BUVRLJJBSA-N
MW370.46 g/mol
LogP5.46
Rot. Bonds6

About (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine

(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine (PubChem CID 139234108) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine.

Molecular Properties

Compound Name(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine
PubChem CID139234108
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine
SMILESCC(C)c1ccc(Cn2cccc2/C=N/c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H22N4O/c1-17(2)19-12-10-18(11-13-19)16-27-14-6-9-21(27)15-24-23-26-25-22(28-23)20-7-4-3-5-8-20/h3-15,17H,16H2,1-2H3/b24-15+
InChIKeyMTEKXGLGLQYIQW-BUVRLJJBSA-N
XLogP5.46
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine?
The IUPAC name of (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine (CID 139234108) is (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine.
What is the SMILES notation for (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine?
The canonical SMILES for (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine is CC(C)c1ccc(Cn2cccc2/C=N/c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine?
The InChIKey is MTEKXGLGLQYIQW-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17(2)19-12-10-18(11-13-19)16-27-14-6-9-21(27)15-24-23-26-25-22(28-23)20-7-4-3-5-8-20/h3-15,17H,16H2,1-2H3/b24-15+.
What are the key properties of (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine?
(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine has a molecular weight of 370.46 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[1-[(4-propan-2-ylphenyl)methyl]pyrrol-2-yl]methanimine is sourced from PubChem (CID 139234108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).