N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

C15H12N2O2 — CID 750297

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2O2/c1-10(18)16-12-7-8-14-13(9-12)17-15(19-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)
InChIKeyXHNGWOCUNBNAQR-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.45
Rot. Bonds2

About N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 750297) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID750297
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2O2/c1-10(18)16-12-7-8-14-13(9-12)17-15(19-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)
InChIKeyXHNGWOCUNBNAQR-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (CID 750297) is N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is XHNGWOCUNBNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10(18)16-12-7-8-14-13(9-12)17-15(19-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 750297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).