2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide

C15H11FN2O3 — CID 64781445

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-7-9(5-6-13(11)19)17-15(20)8-12-10-3-1-2-4-14(10)21-18-12/h1-7,19H,8H2,(H,17,20)
InChIKeyPOHLILJVBSOKLN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.85
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide (PubChem CID 64781445) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
PubChem CID64781445
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-7-9(5-6-13(11)19)17-15(20)8-12-10-3-1-2-4-14(10)21-18-12/h1-7,19H,8H2,(H,17,20)
InChIKeyPOHLILJVBSOKLN-UHFFFAOYSA-N
XLogP2.85
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8927421
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 71894065
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide (CID 64781445) is 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide is O=C(Cc1noc2ccccc12)Nc1ccc(O)c(F)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
The InChIKey is POHLILJVBSOKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-7-9(5-6-13(11)19)17-15(20)8-12-10-3-1-2-4-14(10)21-18-12/h1-7,19H,8H2,(H,17,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide has a molecular weight of 286.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 64781445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).