2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C23H20N2O5 — CID 17092669

IUPAC2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1
InChIInChI=1S/C23H20N2O5/c1-27-17-7-9-18(10-8-17)29-14-22(26)24-16-6-11-21-20(13-16)25-23(30-21)15-4-3-5-19(12-15)28-2/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyBXFQFDQWMZYKLW-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.53
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 17092669) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID17092669
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1
InChIInChI=1S/C23H20N2O5/c1-27-17-7-9-18(10-8-17)29-14-22(26)24-16-6-11-21-20(13-16)25-23(30-21)15-4-3-5-19(12-15)28-2/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyBXFQFDQWMZYKLW-UHFFFAOYSA-N
XLogP4.53
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092663
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
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-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
CID 21211486
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide
CID 1344727

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 17092669) is 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is BXFQFDQWMZYKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-27-17-7-9-18(10-8-17)29-14-22(26)24-16-6-11-21-20(13-16)25-23(30-21)15-4-3-5-19(12-15)28-2/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 404.42 g/mol, XLogP of 4.53, 7 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-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 17092669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).