N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide

C22H18N2O3 — CID 70697414

IUPACN-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2c(-c3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C22H18N2O3/c1-23(17-11-6-3-7-12-17)20(25)15-24-19-14-8-13-18(21(19)27-22(24)26)16-9-4-2-5-10-16/h2-14H,15H2,1H3
InChIKeyCKEASTBJJGXWIN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.92
Rot. Bonds4

About N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide

N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide (PubChem CID 70697414) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
PubChem CID70697414
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2c(-c3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C22H18N2O3/c1-23(17-11-6-3-7-12-17)20(25)15-24-19-14-8-13-18(21(19)27-22(24)26)16-9-4-2-5-10-16/h2-14H,15H2,1H3
InChIKeyCKEASTBJJGXWIN-UHFFFAOYSA-N
XLogP3.92
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide (CID 70697414) is N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2c(-c3ccccc3)cccc21)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The InChIKey is CKEASTBJJGXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-23(17-11-6-3-7-12-17)20(25)15-24-19-14-8-13-18(21(19)27-22(24)26)16-9-4-2-5-10-16/h2-14H,15H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-7-phenyl-1,3-benzoxazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 70697414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).