N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine

C15H16N4O — CID 78922105

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCc1noc(C)c1CNCc1cnc2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)20-19-10)9-16-7-12-8-17-14-5-3-4-6-15(14)18-12/h3-6,8,16H,7,9H2,1-2H3
InChIKeyNDSUNDSZVLOHCF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine (PubChem CID 78922105) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
PubChem CID78922105
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCc1noc(C)c1CNCc1cnc2ccccc2n1
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)20-19-10)9-16-7-12-8-17-14-5-3-4-6-15(14)18-12/h3-6,8,16H,7,9H2,1-2H3
InChIKeyNDSUNDSZVLOHCF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43769302
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
3-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 28781418
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine (CID 78922105) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine is Cc1noc(C)c1CNCc1cnc2ccccc2n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The InChIKey is NDSUNDSZVLOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-13(11(2)20-19-10)9-16-7-12-8-17-14-5-3-4-6-15(14)18-12/h3-6,8,16H,7,9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 78922105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).