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

C19H12BrN3O2 — CID 1385979

IUPAC4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C19H12BrN3O2/c20-14-5-3-12(4-6-14)18(24)22-15-7-8-17-16(10-15)23-19(25-17)13-2-1-9-21-11-13/h1-11H,(H,22,24)
InChIKeyINRMEEVCMRUEFY-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.90
Rot. Bonds3

About 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1385979) has the molecular formula C19H12BrN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1385979
Molecular FormulaC19H12BrN3O2
Molecular Weight394.23 g/mol
Exact Mass393.01
IUPAC Name4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C19H12BrN3O2/c20-14-5-3-12(4-6-14)18(24)22-15-7-8-17-16(10-15)23-19(25-17)13-2-1-9-21-11-13/h1-11H,(H,22,24)
InChIKeyINRMEEVCMRUEFY-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

Analyze 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1385979) is 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is INRMEEVCMRUEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O2/c20-14-5-3-12(4-6-14)18(24)22-15-7-8-17-16(10-15)23-19(25-17)13-2-1-9-21-11-13/h1-11H,(H,22,24).
What are the key properties of 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
4-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 4-bromo-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1385979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).