N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide

C23H18BrFN2O3 — CID 17162958

IUPACN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccccc4F)cc3)nc2c1
InChIInChI=1S/C23H18BrFN2O3/c1-2-14-11-17(24)22-19(12-14)27-23(30-22)15-7-9-16(10-8-15)26-21(28)13-29-20-6-4-3-5-18(20)25/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyQWTQUBWLLSJACL-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.98
Rot. Bonds6

About N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide

N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 17162958) has the molecular formula C23H18BrFN2O3 and a molecular weight of 469.31 g/mol. Its IUPAC name is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID17162958
Molecular FormulaC23H18BrFN2O3
Molecular Weight469.31 g/mol
Exact Mass468.05
IUPAC NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccccc4F)cc3)nc2c1
InChIInChI=1S/C23H18BrFN2O3/c1-2-14-11-17(24)22-19(12-14)27-23(30-22)15-7-9-16(10-8-15)26-21(28)13-29-20-6-4-3-5-18(20)25/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyQWTQUBWLLSJACL-UHFFFAOYSA-N
XLogP5.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 17162933
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
CID 17162820
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17162877
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide
CID 17162837
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 110669879
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 46226016

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide (CID 17162958) is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide is CCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccccc4F)cc3)nc2c1.
What is the InChIKey of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QWTQUBWLLSJACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN2O3/c1-2-14-11-17(24)22-19(12-14)27-23(30-22)15-7-9-16(10-8-15)26-21(28)13-29-20-6-4-3-5-18(20)25/h3-12H,2,13H2,1H3,(H,26,28).
What are the key properties of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 469.31 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 17162958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).