N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide

C22H17BrN2O3 — CID 17163242

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H17BrN2O3/c23-16-6-9-18(10-7-16)27-14-21(26)24-17-8-11-20-19(13-17)25-22(28-20)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,26)
InChIKeyFPLANKIDCJIZBU-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.20
Rot. Bonds6

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide (PubChem CID 17163242) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
PubChem CID17163242
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H17BrN2O3/c23-16-6-9-18(10-7-16)27-14-21(26)24-17-8-11-20-19(13-17)25-22(28-20)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,26)
InChIKeyFPLANKIDCJIZBU-UHFFFAOYSA-N
XLogP5.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
2-(4-bromophenoxy)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858696
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
2-(4-bromophenyl)-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]acetamide
CID 3013304
2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858701
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858688
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
2-(3,5-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858831

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide (CID 17163242) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide?
The InChIKey is FPLANKIDCJIZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-16-6-9-18(10-7-16)27-14-21(26)24-17-8-11-20-19(13-17)25-22(28-20)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,26).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide has a molecular weight of 437.29 g/mol, XLogP of 5.20, 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-(4-bromophenoxy)acetamide is sourced from PubChem (CID 17163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).