N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

C25H24N2O3 — CID 17163239

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)19-8-11-21(12-9-19)29-16-24(28)26-20-10-13-23-22(15-20)27-25(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeySKHXOBDERCNVGD-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.56
Rot. Bonds7

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 17163239) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID17163239
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)19-8-11-21(12-9-19)29-16-24(28)26-20-10-13-23-22(15-20)27-25(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeySKHXOBDERCNVGD-UHFFFAOYSA-N
XLogP5.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
2-(2-chlorophenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54859006
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 54858611
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
2-(2,4-dimethylphenoxy)-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858713
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
2-(4-bromophenoxy)-N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858696
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 17163239) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is SKHXOBDERCNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17(2)19-8-11-21(12-9-19)29-16-24(28)26-20-10-13-23-22(15-20)27-25(30-23)14-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17163239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).