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

C24H21BrN2O3 — CID 17162933

IUPACN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1
InChIInChI=1S/C24H21BrN2O3/c1-3-16-12-20(25)23-21(13-16)27-24(30-23)17-6-8-18(9-7-17)26-22(28)14-29-19-10-4-15(2)5-11-19/h4-13H,3,14H2,1-2H3,(H,26,28)
InChIKeyNDWWDIJDQWNPJR-UHFFFAOYSA-N
MW465.35 g/mol
LogP6.15
Rot. Bonds6

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

N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 17162933) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID17162933
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1
InChIInChI=1S/C24H21BrN2O3/c1-3-16-12-20(25)23-21(13-16)27-24(30-23)17-6-8-18(9-7-17)26-22(28)14-29-19-10-4-15(2)5-11-19/h4-13H,3,14H2,1-2H3,(H,26,28)
InChIKeyNDWWDIJDQWNPJR-UHFFFAOYSA-N
XLogP6.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 56.15
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-(2-fluorophenoxy)acetamide
CID 17162958
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide
CID 17162837
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
CID 17162820
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17162877
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 2980980

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 17162933) is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is CCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1.
What is the InChIKey of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is NDWWDIJDQWNPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-3-16-12-20(25)23-21(13-16)27-24(30-23)17-6-8-18(9-7-17)26-22(28)14-29-19-10-4-15(2)5-11-19/h4-13H,3,14H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 465.35 g/mol, XLogP of 6.15, 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 17162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).