2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride

C14H18ClN5O2 — CID 174392250

IUPAC2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
SMILESCc1c(OCCN)noc1-c1ccccc1.Cl.c1cn[nH]n1
InChIInChI=1S/C12H14N2O2.C2H3N3.ClH/c1-9-11(10-5-3-2-4-6-10)16-14-12(9)15-8-7-13;1-2-4-5-3-1;/h2-6H,7-8,13H2,1H3;1-2H,(H,3,4,5);1H
InChIKeyJNXGSPQXTIBPEH-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.21
Rot. Bonds4

About 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride

2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride (PubChem CID 174392250) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride.

Molecular Properties

Compound Name2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
PubChem CID174392250
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride
SMILESCc1c(OCCN)noc1-c1ccccc1.Cl.c1cn[nH]n1
InChIInChI=1S/C12H14N2O2.C2H3N3.ClH/c1-9-11(10-5-3-2-4-6-10)16-14-12(9)15-8-7-13;1-2-4-5-3-1;/h2-6H,7-8,13H2,1H3;1-2H,(H,3,4,5);1H
InChIKeyJNXGSPQXTIBPEH-UHFFFAOYSA-N
XLogP2.21
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride?
The IUPAC name of 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride (CID 174392250) is 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride.
What is the SMILES notation for 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride?
The canonical SMILES for 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride is Cc1c(OCCN)noc1-c1ccccc1.Cl.c1cn[nH]n1.
What is the InChIKey of 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride?
The InChIKey is JNXGSPQXTIBPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C2H3N3.ClH/c1-9-11(10-5-3-2-4-6-10)16-14-12(9)15-8-7-13;1-2-4-5-3-1;/h2-6H,7-8,13H2,1H3;1-2H,(H,3,4,5);1H.
What are the key properties of 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride?
2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine;2H-triazole;hydrochloride is sourced from PubChem (CID 174392250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).