2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide

C27H22N2O3 — CID 4595683

IUPAC2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1
InChIInChI=1S/C27H22N2O3/c1-2-18-10-13-21(14-11-18)31-17-26(30)28-20-12-15-25-24(16-20)29-27(32-25)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyWARYNKFFAKLLBT-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.23
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide

2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 4595683) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID4595683
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1
InChIInChI=1S/C27H22N2O3/c1-2-18-10-13-21(14-11-18)31-17-26(30)28-20-12-15-25-24(16-20)29-27(32-25)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,2,17H2,1H3,(H,28,30)
InChIKeyWARYNKFFAKLLBT-UHFFFAOYSA-N
XLogP6.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(4-butan-2-ylphenoxy)acetamide
CID 21168212
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1422010
N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-ethylphenoxy)acetamide
CID 4162478
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
[2-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl] thiocyanate
CID 91683582
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318807
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide (CID 4595683) is 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is WARYNKFFAKLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-2-18-10-13-21(14-11-18)31-17-26(30)28-20-12-15-25-24(16-20)29-27(32-25)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,2,17H2,1H3,(H,28,30).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 4595683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).