benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium

C22H23N4O2+ — CID 8563723

IUPACbenzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCC[NH+](Cc1ccccc1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C22H22N4O2/c1-3-26(14-17-10-6-4-7-11-17)15-19-23-24-22(27-19)20-16(2)28-25-21(20)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3/p+1
InChIKeyMVSKQXJFKGFJAL-UHFFFAOYSA-O
MW375.45 g/mol
LogP3.31
Rot. Bonds7

About benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium

benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium (PubChem CID 8563723) has the molecular formula C22H23N4O2+ and a molecular weight of 375.45 g/mol. Its IUPAC name is benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium
PubChem CID8563723
Molecular FormulaC22H23N4O2+
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC Namebenzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium
SMILESCC[NH+](Cc1ccccc1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C22H22N4O2/c1-3-26(14-17-10-6-4-7-11-17)15-19-23-24-22(27-19)20-16(2)28-25-21(20)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3/p+1
InChIKeyMVSKQXJFKGFJAL-UHFFFAOYSA-O
XLogP3.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

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
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl acetate
CID 29170255
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 128941234
(1S)-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 9406604
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
CID 26519005
2-[(2-iodophenoxy)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 38879265
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35064681
2-[(4-ethoxypiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 55988343
2-[(2-ethylpiperidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 51223519
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 86973078
N-methyl-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-naphthalen-2-ylmethanamine
CID 8599949

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium?
The IUPAC name of benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium (CID 8563723) is benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium.
What is the SMILES notation for benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium?
The canonical SMILES for benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium is CC[NH+](Cc1ccccc1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1.
What is the InChIKey of benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium?
The InChIKey is MVSKQXJFKGFJAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N4O2/c1-3-26(14-17-10-6-4-7-11-17)15-19-23-24-22(27-19)20-16(2)28-25-21(20)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3/p+1.
What are the key properties of benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium?
benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium has a molecular weight of 375.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium is sourced from PubChem (CID 8563723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).