2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C17H15BrN2O3 — CID 58656487

IUPAC2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2noc3cc(Br)ccc23)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-13-4-2-3-11(7-13)10-19-17(21)9-15-14-6-5-12(18)8-16(14)23-20-15/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyOENJHQZOHQTGQN-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.46
Rot. Bonds5

About 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 58656487) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID58656487
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2noc3cc(Br)ccc23)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-13-4-2-3-11(7-13)10-19-17(21)9-15-14-6-5-12(18)8-16(14)23-20-15/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyOENJHQZOHQTGQN-UHFFFAOYSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 58656487) is 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2noc3cc(Br)ccc23)c1.
What is the InChIKey of 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is OENJHQZOHQTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-13-4-2-3-11(7-13)10-19-17(21)9-15-14-6-5-12(18)8-16(14)23-20-15/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 375.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,2-benzoxazol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 58656487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).