N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C17H15BrN2O2 — CID 22519822

IUPACN-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)N(C)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-11-3-8-16-14(9-11)15(19-22-16)10-17(21)20(2)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3
InChIKeyRSCFVKJLSZOTPP-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.10
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 22519822) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID22519822
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)N(C)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O2/c1-11-3-8-16-14(9-11)15(19-22-16)10-17(21)20(2)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3
InChIKeyRSCFVKJLSZOTPP-UHFFFAOYSA-N
XLogP4.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 22519822) is N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)N(C)c3ccc(Br)cc3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is RSCFVKJLSZOTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-3-8-16-14(9-11)15(19-22-16)10-17(21)20(2)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 359.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 22519822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).