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

C24H22N2O3 — CID 4062395

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-15-5-11-21-20(12-15)26-24(29-21)18-7-9-19(10-8-18)25-23(27)14-28-22-13-16(2)4-6-17(22)3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyPOGUSPULQRSXBX-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.44
Rot. Bonds5

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

2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 4062395) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID4062395
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-15-5-11-21-20(12-15)26-24(29-21)18-7-9-19(10-8-18)25-23(27)14-28-22-13-16(2)4-6-17(22)3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyPOGUSPULQRSXBX-UHFFFAOYSA-N
XLogP5.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
CID 21211864
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
CID 1362324
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 4062395) is 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is POGUSPULQRSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-5-11-21-20(12-15)26-24(29-21)18-7-9-19(10-8-18)25-23(27)14-28-22-13-16(2)4-6-17(22)3/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 4062395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).