2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide

C22H16N2O4 — CID 41107745

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16N2O4/c25-21(12-14-5-10-19-20(11-14)27-13-26-19)23-16-8-6-15(7-9-16)22-24-17-3-1-2-4-18(17)28-22/h1-11H,12-13H2,(H,23,25)
InChIKeyNRKAAMUWFFONSD-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.40
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 41107745) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID41107745
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16N2O4/c25-21(12-14-5-10-19-20(11-14)27-13-26-19)23-16-8-6-15(7-9-16)22-24-17-3-1-2-4-18(17)28-22/h1-11H,12-13H2,(H,23,25)
InChIKeyNRKAAMUWFFONSD-UHFFFAOYSA-N
XLogP4.40
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 41489839
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
3-(1,3-benzodioxol-5-ylmethylamino)-1-[4-(1,3-benzoxazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 5066691
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110827793
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide (CID 41107745) is 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is NRKAAMUWFFONSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-21(12-14-5-10-19-20(11-14)27-13-26-19)23-16-8-6-15(7-9-16)22-24-17-3-1-2-4-18(17)28-22/h1-11H,12-13H2,(H,23,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 41107745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).