2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

C14H19N5O2 — CID 120750434

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2noc(CN)n2)cc1
InChIInChI=1S/C14H19N5O2/c1-10-3-5-11(6-4-10)16-13(20)9-19(2)8-12-17-14(7-15)21-18-12/h3-6H,7-9,15H2,1-2H3,(H,16,20)
InChIKeyQLXUXKRGLMFXSB-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds6

About 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 120750434) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID120750434
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2noc(CN)n2)cc1
InChIInChI=1S/C14H19N5O2/c1-10-3-5-11(6-4-10)16-13(20)9-19(2)8-12-17-14(7-15)21-18-12/h3-6H,7-9,15H2,1-2H3,(H,16,20)
InChIKeyQLXUXKRGLMFXSB-UHFFFAOYSA-N
XLogP0.91
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 120750559
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 120751904
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
N-methyl-N-[[3-[2-(4-methylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 167849389
[3-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751743
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 47070086

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 120750434) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2noc(CN)n2)cc1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is QLXUXKRGLMFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-3-5-11(6-4-10)16-13(20)9-19(2)8-12-17-14(7-15)21-18-12/h3-6H,7-9,15H2,1-2H3,(H,16,20).
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 120750434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).