N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide

C25H23BrN2O3 — CID 21211486

IUPACN-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1
InChIInChI=1S/C25H23BrN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyIMVOTCCRAOOBOJ-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.57
Rot. Bonds5

About N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide

N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide (PubChem CID 21211486) has the molecular formula C25H23BrN2O3 and a molecular weight of 479.37 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
PubChem CID21211486
Molecular FormulaC25H23BrN2O3
Molecular Weight479.37 g/mol
Exact Mass478.09
IUPAC NameN-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1
InChIInChI=1S/C25H23BrN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyIMVOTCCRAOOBOJ-UHFFFAOYSA-N
XLogP6.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3421834
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241506
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 29244185
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 2980980
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide (CID 21211486) is N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1.
What is the InChIKey of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is IMVOTCCRAOOBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O3/c1-25(2,3)17-7-10-20(11-8-17)30-15-23(29)27-19-9-12-22-21(14-19)28-24(31-22)16-5-4-6-18(26)13-16/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide?
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 479.37 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 21211486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).