2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide

C22H19N3O3 — CID 1362324

IUPAC2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1
InChIInChI=1S/C22H19N3O3/c1-14-3-5-19(15(2)11-14)27-13-21(26)24-17-4-6-20-18(12-17)25-22(28-20)16-7-9-23-10-8-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyLPTRWNGWDJDMKI-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.52
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 1362324) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID1362324
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1
InChIInChI=1S/C22H19N3O3/c1-14-3-5-19(15(2)11-14)27-13-21(26)24-17-4-6-20-18(12-17)25-22(28-20)16-7-9-23-10-8-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyLPTRWNGWDJDMKI-UHFFFAOYSA-N
XLogP4.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117124
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
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)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3800151
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 2980980
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
2-(2,4-dimethylphenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
CID 23962463

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (CID 1362324) is 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is LPTRWNGWDJDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-3-5-19(15(2)11-14)27-13-21(26)24-17-4-6-20-18(12-17)25-22(28-20)16-7-9-23-10-8-16/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 1362324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).