N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

C24H19N3O3 — CID 46226021

IUPACN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1
InChIInChI=1S/C24H19N3O3/c1-15-5-3-4-6-21(15)29-14-22(28)26-19-9-7-18(8-10-19)24-27-20-12-17(13-25)11-16(2)23(20)30-24/h3-12H,14H2,1-2H3,(H,26,28)
InChIKeyJJEWIXRNUSUVRS-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.00
Rot. Bonds5

About N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 46226021) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID46226021
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1
InChIInChI=1S/C24H19N3O3/c1-15-5-3-4-6-21(15)29-14-22(28)26-19-9-7-18(8-10-19)24-27-20-12-17(13-25)11-16(2)23(20)30-24/h3-12H,14H2,1-2H3,(H,26,28)
InChIKeyJJEWIXRNUSUVRS-UHFFFAOYSA-N
XLogP5.00
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

BI 99179
CID 51346964
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)aniline
CID 721040
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 1369939
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide
CID 22718561
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-butyramide
CID 9970584
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]acetamide
CID 9998754
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10015475
N-[3-(2-Methyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10332159
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 46226021) is N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1.
What is the InChIKey of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is JJEWIXRNUSUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-15-5-3-4-6-21(15)29-14-22(28)26-19-9-7-18(8-10-19)24-27-20-12-17(13-25)11-16(2)23(20)30-24/h3-12H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 397.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 46226021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).