5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide

C26H20Cl2N2O3 — CID 167948747

IUPAC5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C26H20Cl2N2O3/c27-19-7-8-22(28)21(14-19)24(18-6-9-23-17(13-18)10-11-32-23)30-25(31)26-29-15-20(33-26)12-16-4-2-1-3-5-16/h1-9,13-15,24H,10-12H2,(H,30,31)
InChIKeySKTGXLVTKFQKIR-UHFFFAOYSA-N
MW479.36 g/mol
LogP6.03
Rot. Bonds6

About 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide

5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide (PubChem CID 167948747) has the molecular formula C26H20Cl2N2O3 and a molecular weight of 479.36 g/mol. Its IUPAC name is 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide
PubChem CID167948747
Molecular FormulaC26H20Cl2N2O3
Molecular Weight479.36 g/mol
Exact Mass478.09
IUPAC Name5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C26H20Cl2N2O3/c27-19-7-8-22(28)21(14-19)24(18-6-9-23-17(13-18)10-11-32-23)30-25(31)26-29-15-20(33-26)12-16-4-2-1-3-5-16/h1-9,13-15,24H,10-12H2,(H,30,31)
InChIKeySKTGXLVTKFQKIR-UHFFFAOYSA-N
XLogP6.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide (CID 167948747) is 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is SKTGXLVTKFQKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O3/c27-19-7-8-22(28)21(14-19)24(18-6-9-23-17(13-18)10-11-32-23)30-25(31)26-29-15-20(33-26)12-16-4-2-1-3-5-16/h1-9,13-15,24H,10-12H2,(H,30,31).
What are the key properties of 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide?
5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 479.36 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 167948747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).