N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine

C15H9BrN4O — CID 58829313

IUPACN-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine
SMILESBrc1ccc2nc(Nc3nc4ccccc4o3)ncc2c1
InChIInChI=1S/C15H9BrN4O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-8H,(H,17,18,19,20)
InChIKeyWIDOPJYRHRXIMO-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.28
Rot. Bonds2

About N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine

N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 58829313) has the molecular formula C15H9BrN4O and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID58829313
Molecular FormulaC15H9BrN4O
Molecular Weight341.17 g/mol
Exact Mass340.00
IUPAC NameN-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine
SMILESBrc1ccc2nc(Nc3nc4ccccc4o3)ncc2c1
InChIInChI=1S/C15H9BrN4O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-8H,(H,17,18,19,20)
InChIKeyWIDOPJYRHRXIMO-UHFFFAOYSA-N
XLogP4.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine (CID 58829313) is N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine is Brc1ccc2nc(Nc3nc4ccccc4o3)ncc2c1.
What is the InChIKey of N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is WIDOPJYRHRXIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-8H,(H,17,18,19,20).
What are the key properties of N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine?
N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 341.17 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 58829313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).