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

C23H20N2O4 — CID 4527804

IUPACN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1
InChIInChI=1S/C23H20N2O4/c1-15-5-3-4-6-20(15)28-14-22(26)24-17-9-7-16(8-10-17)23-25-19-13-18(27-2)11-12-21(19)29-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQACFXLMWUBCWLA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.83
Rot. Bonds6

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

N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 4527804) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID4527804
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1
InChIInChI=1S/C23H20N2O4/c1-15-5-3-4-6-20(15)28-14-22(26)24-17-9-7-16(8-10-17)23-25-19-13-18(27-2)11-12-21(19)29-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyQACFXLMWUBCWLA-UHFFFAOYSA-N
XLogP4.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
BI 99179
CID 51346964
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]-butyramide
CID 9970584
N-{3-[2-(4-Phenyl-butyl)-benzooxazol-7-yl]-propyl}-propionamide
CID 10361427
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 401582
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(4-Aminophenyl)-1,3-benzoxazol-6-amine
CID 542899
4-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735943
4-(5-Isopropylbenzo[d]oxazol-2-yl)aniline
CID 772857

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 4527804) is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is COc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is QACFXLMWUBCWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-5-3-4-6-20(15)28-14-22(26)24-17-9-7-16(8-10-17)23-25-19-13-18(27-2)11-12-21(19)29-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 4527804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).