N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide

C20H14BrN3O3 — CID 25239404

IUPACN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cncc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H14BrN3O3/c21-14-5-7-16(8-6-14)26-12-19(25)23-15-9-13(10-22-11-15)20-24-17-3-1-2-4-18(17)27-20/h1-11H,12H2,(H,23,25)
InChIKeySWLFGGGLFRFAPW-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.67
Rot. Bonds5

About N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide

N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide (PubChem CID 25239404) has the molecular formula C20H14BrN3O3 and a molecular weight of 424.25 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
PubChem CID25239404
Molecular FormulaC20H14BrN3O3
Molecular Weight424.25 g/mol
Exact Mass423.02
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cncc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H14BrN3O3/c21-14-5-7-16(8-6-14)26-12-19(25)23-15-9-13(10-22-11-15)20-24-17-3-1-2-4-18(17)27-20/h1-11H,12H2,(H,23,25)
InChIKeySWLFGGGLFRFAPW-UHFFFAOYSA-N
XLogP4.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 2980980
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010
N-[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide
CID 4533437
2-(4-bromophenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 1370196
2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241506
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide
CID 50811080
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
CID 21211486
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide (CID 25239404) is N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1cncc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is SWLFGGGLFRFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3/c21-14-5-7-16(8-6-14)26-12-19(25)23-15-9-13(10-22-11-15)20-24-17-3-1-2-4-18(17)27-20/h1-11H,12H2,(H,23,25).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide?
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 424.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 25239404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).