N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide

C24H21BrN2O3 — CID 17163260

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(Br)c1
InChIInChI=1S/C24H21BrN2O3/c1-15-10-16(2)24(19(25)11-15)29-14-22(28)26-18-8-9-21-20(13-18)27-23(30-21)12-17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,26,28)
InChIKeyHNTBSYGBPDCMQA-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.82
Rot. Bonds6

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide (PubChem CID 17163260) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
PubChem CID17163260
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(Br)c1
InChIInChI=1S/C24H21BrN2O3/c1-15-10-16(2)24(19(25)11-15)29-14-22(28)26-18-8-9-21-20(13-18)27-23(30-21)12-17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,26,28)
InChIKeyHNTBSYGBPDCMQA-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
2-(2-bromo-4,6-dimethylphenoxy)-N-[[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859631
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 23824736
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 25494068
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23828133
2-(2-bromo-4,6-dimethylphenoxy)-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859402
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide (CID 17163260) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(Br)c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide?
The InChIKey is HNTBSYGBPDCMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-15-10-16(2)24(19(25)11-15)29-14-22(28)26-18-8-9-21-20(13-18)27-23(30-21)12-17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide has a molecular weight of 465.35 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 17163260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).