N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide

C22H19N3O4 — CID 50995778

IUPACN-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)on1)c1ccc(NC(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C22H19N3O4/c1-3-25(22(27)19-12-14(2)29-24-19)16-10-8-15(9-11-16)23-21(26)18-13-28-20-7-5-4-6-17(18)20/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyKWQDJSNEFLKLBN-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.65
Rot. Bonds5

About N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide

N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 50995778) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID50995778
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(C)on1)c1ccc(NC(=O)c2coc3ccccc23)cc1
InChIInChI=1S/C22H19N3O4/c1-3-25(22(27)19-12-14(2)29-24-19)16-10-8-15(9-11-16)23-21(26)18-13-28-20-7-5-4-6-17(18)20/h4-13H,3H2,1-2H3,(H,23,26)
InChIKeyKWQDJSNEFLKLBN-UHFFFAOYSA-N
XLogP4.65
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide (CID 50995778) is N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide is CCN(C(=O)c1cc(C)on1)c1ccc(NC(=O)c2coc3ccccc23)cc1.
What is the InChIKey of N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KWQDJSNEFLKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-3-25(22(27)19-12-14(2)29-24-19)16-10-8-15(9-11-16)23-21(26)18-13-28-20-7-5-4-6-17(18)20/h4-13H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-3-carbonylamino)phenyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50995778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).