5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine

C20H13N5O — CID 70798690

IUPAC5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5ccncc5)nc4c3)ccc2o1
InChIInChI=1S/C20H13N5O/c21-20-25-17-10-14(2-4-19(17)26-20)13-1-3-15-16(9-13)24-18(11-23-15)12-5-7-22-8-6-12/h1-11H,(H2,21,25)
InChIKeyIGXAYCTWBOAYSG-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.08
Rot. Bonds2

About 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine

5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 70798690) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID70798690
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5ccncc5)nc4c3)ccc2o1
InChIInChI=1S/C20H13N5O/c21-20-25-17-10-14(2-4-19(17)26-20)13-1-3-15-16(9-13)24-18(11-23-15)12-5-7-22-8-6-12/h1-11H,(H2,21,25)
InChIKeyIGXAYCTWBOAYSG-UHFFFAOYSA-N
XLogP4.08
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine (CID 70798690) is 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(-c5ccncc5)nc4c3)ccc2o1.
What is the InChIKey of 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is IGXAYCTWBOAYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-20-25-17-10-14(2-4-19(17)26-20)13-1-3-15-16(9-13)24-18(11-23-15)12-5-7-22-8-6-12/h1-11H,(H2,21,25).
What are the key properties of 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 339.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-4-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).