5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

C19H14N6O — CID 70798393

IUPAC5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESCc1nccn1-c1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2n1
InChIInChI=1S/C19H14N6O/c1-11-21-6-7-25(11)18-10-22-14-4-2-12(8-15(14)23-18)13-3-5-17-16(9-13)24-19(20)26-17/h2-10H,1H3,(H2,20,24)
InChIKeyYWIRYNMMOMERIX-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.51
Rot. Bonds2

About 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798393) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798393
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
SMILESCc1nccn1-c1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2n1
InChIInChI=1S/C19H14N6O/c1-11-21-6-7-25(11)18-10-22-14-4-2-12(8-15(14)23-18)13-3-5-17-16(9-13)24-19(20)26-17/h2-10H,1H3,(H2,20,24)
InChIKeyYWIRYNMMOMERIX-UHFFFAOYSA-N
XLogP3.51
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine (CID 70798393) is 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is Cc1nccn1-c1cnc2ccc(-c3ccc4oc(N)nc4c3)cc2n1.
What is the InChIKey of 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is YWIRYNMMOMERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-11-21-6-7-25(11)18-10-22-14-4-2-12(8-15(14)23-18)13-3-5-17-16(9-13)24-19(20)26-17/h2-10H,1H3,(H2,20,24).
What are the key properties of 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 342.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylimidazol-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).