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

C15H8BrN3O2 — CID 150073448

IUPAC4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide
SMILESN#Cc1ccc2oc(NC(=O)c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C15H8BrN3O2/c16-11-4-2-10(3-5-11)14(20)19-15-18-12-7-9(8-17)1-6-13(12)21-15/h1-7H,(H,18,19,20)
InChIKeyDPTLIEIDSUBFKY-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.71
Rot. Bonds2

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

4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide (PubChem CID 150073448) has the molecular formula C15H8BrN3O2 and a molecular weight of 342.15 g/mol. Its IUPAC name is 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide
PubChem CID150073448
Molecular FormulaC15H8BrN3O2
Molecular Weight342.15 g/mol
Exact Mass340.98
IUPAC Name4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide
SMILESN#Cc1ccc2oc(NC(=O)c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C15H8BrN3O2/c16-11-4-2-10(3-5-11)14(20)19-15-18-12-7-9(8-17)1-6-13(12)21-15/h1-7H,(H,18,19,20)
InChIKeyDPTLIEIDSUBFKY-UHFFFAOYSA-N
XLogP3.71
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide (CID 150073448) is 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide is N#Cc1ccc2oc(NC(=O)c3ccc(Br)cc3)nc2c1.
What is the InChIKey of 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is DPTLIEIDSUBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3O2/c16-11-4-2-10(3-5-11)14(20)19-15-18-12-7-9(8-17)1-6-13(12)21-15/h1-7H,(H,18,19,20).
What are the key properties of 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide?
4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 342.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 150073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).