N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide

C16H14N2O2 — CID 6460162

IUPACN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1
InChIInChI=1S/C16H14N2O2/c1-10-5-3-4-6-13(10)16-18-14-8-7-12(17-11(2)19)9-15(14)20-16/h3-9H,1-2H3,(H,17,19)
InChIKeyVUVMYRDCVBBYLA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.76
Rot. Bonds2

About N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide

N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide (PubChem CID 6460162) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide
PubChem CID6460162
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1
InChIInChI=1S/C16H14N2O2/c1-10-5-3-4-6-13(10)16-18-14-8-7-12(17-11(2)19)9-15(14)20-16/h3-9H,1-2H3,(H,17,19)
InChIKeyVUVMYRDCVBBYLA-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide?
The IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide (CID 6460162) is N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1.
What is the InChIKey of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide?
The InChIKey is VUVMYRDCVBBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-5-3-4-6-13(10)16-18-14-8-7-12(17-11(2)19)9-15(14)20-16/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide?
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]acetamide is sourced from PubChem (CID 6460162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).