3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C19H12BrN3O2 — CID 1385439

IUPAC3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24)
InChIKeyYVMDYJYUNLGDAD-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

About 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1385439) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1385439
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC Name3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Br)c1
InChIInChI=1S/C19H12BrN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24)
InChIKeyYVMDYJYUNLGDAD-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1385439) is 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is YVMDYJYUNLGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-14-5-1-3-12(9-14)18(24)22-15-6-7-17-16(10-15)23-19(25-17)13-4-2-8-21-11-13/h1-11H,(H,22,24).
What are the key properties of 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 394.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1385439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).