N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide

C26H20N2O3 — CID 40618366

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1
InChIInChI=1S/C26H20N2O3/c1-17-6-4-10-21(14-17)30-16-24(29)27-20-9-5-8-19(15-20)26-28-25-22-11-3-2-7-18(22)12-13-23(25)31-26/h2-15H,16H2,1H3,(H,27,29)
InChIKeyROKPUPFRTCAMBB-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.97
Rot. Bonds5

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide (PubChem CID 40618366) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
PubChem CID40618366
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1
InChIInChI=1S/C26H20N2O3/c1-17-6-4-10-21(14-17)30-16-24(29)27-20-9-5-8-19(15-20)26-28-25-22-11-3-2-7-18(22)12-13-23(25)31-26/h2-15H,16H2,1H3,(H,27,29)
InChIKeyROKPUPFRTCAMBB-UHFFFAOYSA-N
XLogP5.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-butoxybenzamide
CID 4590665
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide (CID 40618366) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is ROKPUPFRTCAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-17-6-4-10-21(14-17)30-16-24(29)27-20-9-5-8-19(15-20)26-28-25-22-11-3-2-7-18(22)12-13-23(25)31-26/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 408.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 40618366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).