4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine

C13H12N4O — CID 104615859

IUPAC4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc2nccnc12
InChIInChI=1S/C13H12N4O/c1-2-8-12(18-17-13(8)14)9-4-3-5-10-11(9)16-7-6-15-10/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyMKEGUHMIHIUTIA-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.43
Rot. Bonds2

About 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine

4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine (PubChem CID 104615859) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine
PubChem CID104615859
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc2nccnc12
InChIInChI=1S/C13H12N4O/c1-2-8-12(18-17-13(8)14)9-4-3-5-10-11(9)16-7-6-15-10/h3-7H,2H2,1H3,(H2,14,17)
InChIKeyMKEGUHMIHIUTIA-UHFFFAOYSA-N
XLogP2.43
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine (CID 104615859) is 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1cccc2nccnc12.
What is the InChIKey of 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine?
The InChIKey is MKEGUHMIHIUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-8-12(18-17-13(8)14)9-4-3-5-10-11(9)16-7-6-15-10/h3-7H,2H2,1H3,(H2,14,17).
What are the key properties of 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine?
4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 104615859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).