2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine

C13H14N4O — CID 79602794

IUPAC2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cccc2nc(C(N)Cc3cnc[nH]3)oc12
InChIInChI=1S/C13H14N4O/c1-8-3-2-4-11-12(8)18-13(17-11)10(14)5-9-6-15-7-16-9/h2-4,6-7,10H,5,14H2,1H3,(H,15,16)
InChIKeyQGWUFMRXTXIZPT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.10
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine

2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 79602794) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine
PubChem CID79602794
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cccc2nc(C(N)Cc3cnc[nH]3)oc12
InChIInChI=1S/C13H14N4O/c1-8-3-2-4-11-12(8)18-13(17-11)10(14)5-9-6-15-7-16-9/h2-4,6-7,10H,5,14H2,1H3,(H,15,16)
InChIKeyQGWUFMRXTXIZPT-UHFFFAOYSA-N
XLogP2.10
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038509
(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038512
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29273811
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894645
(1S)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894644
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine (CID 79602794) is 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine is Cc1cccc2nc(C(N)Cc3cnc[nH]3)oc12.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is QGWUFMRXTXIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-3-2-4-11-12(8)18-13(17-11)10(14)5-9-6-15-7-16-9/h2-4,6-7,10H,5,14H2,1H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine?
2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 242.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(7-methyl-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 79602794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).