5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine

C13H11ClN4O — CID 167891743

IUPAC5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine
SMILESCc1cc(CNc2cnc3c(Cl)cccc3n2)on1
InChIInChI=1S/C13H11ClN4O/c1-8-5-9(19-18-8)6-15-12-7-16-13-10(14)3-2-4-11(13)17-12/h2-5,7H,6H2,1H3,(H,15,17)
InChIKeyYADZPEVBTRPFJC-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds3

About 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine

5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine (PubChem CID 167891743) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine
PubChem CID167891743
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine
SMILESCc1cc(CNc2cnc3c(Cl)cccc3n2)on1
InChIInChI=1S/C13H11ClN4O/c1-8-5-9(19-18-8)6-15-12-7-16-13-10(14)3-2-4-11(13)17-12/h2-5,7H,6H2,1H3,(H,15,17)
InChIKeyYADZPEVBTRPFJC-UHFFFAOYSA-N
XLogP3.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine?
The IUPAC name of 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine (CID 167891743) is 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine is Cc1cc(CNc2cnc3c(Cl)cccc3n2)on1.
What is the InChIKey of 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine?
The InChIKey is YADZPEVBTRPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-5-9(19-18-8)6-15-12-7-16-13-10(14)3-2-4-11(13)17-12/h2-5,7H,6H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine?
5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine has a molecular weight of 274.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 167891743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).