2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide

C14H10BrN3O2 — CID 102820520

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrN3O2/c15-9-5-6-16-13(7-9)17-14(19)8-11-10-3-1-2-4-12(10)20-18-11/h1-7H,8H2,(H,16,17,19)
InChIKeyFVZKLSDOTDNEOY-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.17
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide (PubChem CID 102820520) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
PubChem CID102820520
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrN3O2/c15-9-5-6-16-13(7-9)17-14(19)8-11-10-3-1-2-4-12(10)20-18-11/h1-7H,8H2,(H,16,17,19)
InChIKeyFVZKLSDOTDNEOY-UHFFFAOYSA-N
XLogP3.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619644
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide (CID 102820520) is 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide is O=C(Cc1noc2ccccc12)Nc1cc(Br)ccn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide?
The InChIKey is FVZKLSDOTDNEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-9-5-6-16-13(7-9)17-14(19)8-11-10-3-1-2-4-12(10)20-18-11/h1-7H,8H2,(H,16,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide has a molecular weight of 332.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 102820520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).