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

C21H17N3O4 — CID 1166277

IUPAC2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-16-3-5-17(6-4-16)27-13-20(25)23-15-2-7-19-18(12-15)24-21(28-19)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyFCRBNJUJLYGGDG-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.92
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 1166277) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID1166277
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-16-3-5-17(6-4-16)27-13-20(25)23-15-2-7-19-18(12-15)24-21(28-19)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyFCRBNJUJLYGGDG-UHFFFAOYSA-N
XLogP3.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide (CID 1166277) is 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is FCRBNJUJLYGGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-16-3-5-17(6-4-16)27-13-20(25)23-15-2-7-19-18(12-15)24-21(28-19)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide?
2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 1166277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).