N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide

C22H15N3O3 — CID 24599418

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15N3O3/c23-13-16-5-1-3-7-19(16)27-14-21(26)24-17-11-9-15(10-12-17)22-25-18-6-2-4-8-20(18)28-22/h1-12H,14H2,(H,24,26)
InChIKeyIVFJKQYGLUOWHC-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.38
Rot. Bonds5

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 24599418) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide
PubChem CID24599418
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H15N3O3/c23-13-16-5-1-3-7-19(16)27-14-21(26)24-17-11-9-15(10-12-17)22-25-18-6-2-4-8-20(18)28-22/h1-12H,14H2,(H,24,26)
InChIKeyIVFJKQYGLUOWHC-UHFFFAOYSA-N
XLogP4.38
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 1364476
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide (CID 24599418) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is IVFJKQYGLUOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c23-13-16-5-1-3-7-19(16)27-14-21(26)24-17-11-9-15(10-12-17)22-25-18-6-2-4-8-20(18)28-22/h1-12H,14H2,(H,24,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 369.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 24599418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).