N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H11FN2O3 — CID 977608

IUPACN-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-10-5-7-11(8-6-10)17-14(19)9-18-12-3-1-2-4-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyMMLIRSOZRHJGRE-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.37
Rot. Bonds3

About N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 977608) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID977608
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC NameN-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-10-5-7-11(8-6-10)17-14(19)9-18-12-3-1-2-4-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyMMLIRSOZRHJGRE-UHFFFAOYSA-N
XLogP2.37
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 977608) is N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is MMLIRSOZRHJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-10-5-7-11(8-6-10)17-14(19)9-18-12-3-1-2-4-13(12)21-15(18)20/h1-8H,9H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 286.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).