2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

C14H15N5O — CID 104615612

IUPAC2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C14H15N5O/c1-8(2)11(15)13-18-14(20-19-13)9-4-3-5-10-12(9)17-7-6-16-10/h3-8,11H,15H2,1-2H3
InChIKeyULXDZWGTXVAGLH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 104615612) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID104615612
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C14H15N5O/c1-8(2)11(15)13-18-14(20-19-13)9-4-3-5-10-12(9)17-7-6-16-10/h3-8,11H,15H2,1-2H3
InChIKeyULXDZWGTXVAGLH-UHFFFAOYSA-N
XLogP2.34
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39781740
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660591
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 107525506
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
1-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324411
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 28736924
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 104615612) is 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is CC(C)C(N)c1noc(-c2cccc3nccnc23)n1.
What is the InChIKey of 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is ULXDZWGTXVAGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)11(15)13-18-14(20-19-13)9-4-3-5-10-12(9)17-7-6-16-10/h3-8,11H,15H2,1-2H3.
What are the key properties of 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 104615612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).