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

C13H12N4O — CID 106419114

IUPAC3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccno1
InChIInChI=1S/C13H12N4O/c1-9-13(14-8-10-6-7-15-18-10)17-12-5-3-2-4-11(12)16-9/h2-7H,8H2,1H3,(H,14,17)
InChIKeyVRJMHHBCLWJLHZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.54
Rot. Bonds3

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

3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine (PubChem CID 106419114) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
PubChem CID106419114
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccno1
InChIInChI=1S/C13H12N4O/c1-9-13(14-8-10-6-7-15-18-10)17-12-5-3-2-4-11(12)16-9/h2-7H,8H2,1H3,(H,14,17)
InChIKeyVRJMHHBCLWJLHZ-UHFFFAOYSA-N
XLogP2.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine (CID 106419114) is 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1ccno1.
What is the InChIKey of 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine?
The InChIKey is VRJMHHBCLWJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-13(14-8-10-6-7-15-18-10)17-12-5-3-2-4-11(12)16-9/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine?
3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 106419114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).