N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide

C23H20N2O2 — CID 1215944

IUPACN-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)oc2c1
InChIInChI=1S/C23H20N2O2/c1-15-8-11-19-21(12-15)27-23(25-19)18-10-9-16(2)20(14-18)24-22(26)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYPHYPSLLWWYMEN-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.29
Rot. Bonds4

About N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide

N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 1215944) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
PubChem CID1215944
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)oc2c1
InChIInChI=1S/C23H20N2O2/c1-15-8-11-19-21(12-15)27-23(25-19)18-10-9-16(2)20(14-18)24-22(26)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYPHYPSLLWWYMEN-UHFFFAOYSA-N
XLogP5.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide (CID 1215944) is N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is Cc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)oc2c1.
What is the InChIKey of N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is YPHYPSLLWWYMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-8-11-19-21(12-15)27-23(25-19)18-10-9-16(2)20(14-18)24-22(26)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide?
N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 356.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1215944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).