1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone

C23H16N2O3 — CID 110828616

IUPAC1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
SMILESO=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O3/c26-19(22-13-16-5-1-3-7-20(16)27-22)14-24-17-11-9-15(10-12-17)23-25-18-6-2-4-8-21(18)28-23/h1-13,24H,14H2
InChIKeyCDBQMOKUFPTZMO-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.54
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone

1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone (PubChem CID 110828616) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
PubChem CID110828616
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
SMILESO=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O3/c26-19(22-13-16-5-1-3-7-20(16)27-22)14-24-17-11-9-15(10-12-17)23-25-18-6-2-4-8-21(18)28-23/h1-13,24H,14H2
InChIKeyCDBQMOKUFPTZMO-UHFFFAOYSA-N
XLogP5.54
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110827793
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828482
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(1-benzofuran-2-yl)ethanone
CID 110828562
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340360
N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 170267058
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone (CID 110828616) is 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone is O=C(CNc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone?
The InChIKey is CDBQMOKUFPTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-19(22-13-16-5-1-3-7-20(16)27-22)14-24-17-11-9-15(10-12-17)23-25-18-6-2-4-8-21(18)28-23/h1-13,24H,14H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone?
1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone has a molecular weight of 368.39 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone is sourced from PubChem (CID 110828616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).