N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

C23H24N4O2 — CID 55648652

IUPACN-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1ccccc1C
InChIInChI=1S/C23H24N4O2/c1-4-27(14-19-13-9-8-10-16(19)2)15-20-24-25-23(28-20)21-17(3)29-26-22(21)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3
InChIKeyJBGHGIWHTUPDQG-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.03
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine

N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 55648652) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID55648652
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1ccccc1C
InChIInChI=1S/C23H24N4O2/c1-4-27(14-19-13-9-8-10-16(19)2)15-20-24-25-23(28-20)21-17(3)29-26-22(21)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3
InChIKeyJBGHGIWHTUPDQG-UHFFFAOYSA-N
XLogP5.03
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 55648652) is N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCN(Cc1nnc(-c2c(-c3ccccc3)noc2C)o1)Cc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is JBGHGIWHTUPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-27(14-19-13-9-8-10-16(19)2)15-20-24-25-23(28-20)21-17(3)29-26-22(21)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 388.47 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).