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

C20H13N5O — CID 71037655

IUPAC5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4c3)ccc2o1
InChIInChI=1S/C20H13N5O/c21-20-25-17-9-13(4-6-19(17)26-20)12-3-5-15-16(8-12)24-18(11-23-15)14-2-1-7-22-10-14/h1-11H,(H2,21,25)
InChIKeyBBKWPWYKZGCXEZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.08
Rot. Bonds2

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

5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 71037655) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID71037655
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4c3)ccc2o1
InChIInChI=1S/C20H13N5O/c21-20-25-17-9-13(4-6-19(17)26-20)12-3-5-15-16(8-12)24-18(11-23-15)14-2-1-7-22-10-14/h1-11H,(H2,21,25)
InChIKeyBBKWPWYKZGCXEZ-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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Related Compounds

Serabelisib
CID 70798655
Ontazolast
CID 71458
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044
N-[(1R)-2-cyclohexyl-1-pyridin-2-ylethyl]-5-methyl-1,3-benzoxazol-2-amine
CID 9862559
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
CID 392789
CID 392789
Antitumor agent-119
CID 9572050
N-[(E)-(2-phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine
CID 9572558
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345
N-(2-cyclohexyl-1-pyridin-4-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 10382325
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-(trifluoromethyl)-1,3-benzoxazol-2-amine
CID 10386304

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine (CID 71037655) is 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4c3)ccc2o1.
What is the InChIKey of 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is BBKWPWYKZGCXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-20-25-17-9-13(4-6-19(17)26-20)12-3-5-15-16(8-12)24-18(11-23-15)14-2-1-7-22-10-14/h1-11H,(H2,21,25).
What are the key properties of 5-(3-pyridin-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine?
5-(3-pyridin-3-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-3-ylquinoxalin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).