1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine

C15H16N4O — CID 106388068

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCc2cnc3ccccc3n2)o1
InChIInChI=1S/C15H16N4O/c1-10-7-18-15(20-10)11(2)16-8-12-9-17-13-5-3-4-6-14(13)19-12/h3-7,9,11,16H,8H2,1-2H3
InChIKeyMWWGCEYAWHMKMZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.78
Rot. Bonds4

About 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine (PubChem CID 106388068) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
PubChem CID106388068
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCc2cnc3ccccc3n2)o1
InChIInChI=1S/C15H16N4O/c1-10-7-18-15(20-10)11(2)16-8-12-9-17-13-5-3-4-6-14(13)19-12/h3-7,9,11,16H,8H2,1-2H3
InChIKeyMWWGCEYAWHMKMZ-UHFFFAOYSA-N
XLogP2.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
N-[(2-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893432
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine (CID 106388068) is 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine is Cc1cnc(C(C)NCc2cnc3ccccc3n2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
The InChIKey is MWWGCEYAWHMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-18-15(20-10)11(2)16-8-12-9-17-13-5-3-4-6-14(13)19-12/h3-7,9,11,16H,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).