N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide

C15H11BrN2O2 — CID 644527

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C15H11BrN2O2/c1-9(19)17-10-6-7-14-13(8-10)18-15(20-14)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,19)
InChIKeyOADDHNXPPJJDIZ-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.22
Rot. Bonds2

About N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 644527) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID644527
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C15H11BrN2O2/c1-9(19)17-10-6-7-14-13(8-10)18-15(20-14)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,19)
InChIKeyOADDHNXPPJJDIZ-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide (CID 644527) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is OADDHNXPPJJDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9(19)17-10-6-7-14-13(8-10)18-15(20-14)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,19).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 331.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 644527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).