N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide

C25H18N2O2 — CID 1047427

IUPACN-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1
InChIInChI=1S/C25H18N2O2/c1-16-6-8-18(9-7-16)24(28)26-20-13-10-19(11-14-20)25-27-23-21-5-3-2-4-17(21)12-15-22(23)29-25/h2-15H,1H3,(H,26,28)
InChIKeyZPELIFKEUPSOGK-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.21
Rot. Bonds3

About N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide

N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide (PubChem CID 1047427) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
PubChem CID1047427
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC NameN-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1
InChIInChI=1S/C25H18N2O2/c1-16-6-8-18(9-7-16)24(28)26-20-13-10-19(11-14-20)25-27-23-21-5-3-2-4-17(21)12-15-22(23)29-25/h2-15H,1H3,(H,26,28)
InChIKeyZPELIFKEUPSOGK-UHFFFAOYSA-N
XLogP6.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-iodobenzamide
CID 4188409
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide?
The IUPAC name of N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide (CID 1047427) is N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1.
What is the InChIKey of N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide?
The InChIKey is ZPELIFKEUPSOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-16-6-8-18(9-7-16)24(28)26-20-13-10-19(11-14-20)25-27-23-21-5-3-2-4-17(21)12-15-22(23)29-25/h2-15H,1H3,(H,26,28).
What are the key properties of N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide?
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide is sourced from PubChem (CID 1047427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).