N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C20H20N2O5 — CID 31826431

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3cc(-c4ccco4)on3)c2O1
InChIInChI=1S/C20H20N2O5/c1-20(2)12-13-5-3-6-16(18(13)26-20)25-10-8-21-19(23)14-11-17(27-22-14)15-7-4-9-24-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,23)
InChIKeyYKPBYNJZYMRCSP-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 31826431) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID31826431
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)c3cc(-c4ccco4)on3)c2O1
InChIInChI=1S/C20H20N2O5/c1-20(2)12-13-5-3-6-16(18(13)26-20)25-10-8-21-19(23)14-11-17(27-22-14)15-7-4-9-24-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,23)
InChIKeyYKPBYNJZYMRCSP-UHFFFAOYSA-N
XLogP3.46
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 31826431) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC1(C)Cc2cccc(OCCNC(=O)c3cc(-c4ccco4)on3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YKPBYNJZYMRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(2)12-13-5-3-6-16(18(13)26-20)25-10-8-21-19(23)14-11-17(27-22-14)15-7-4-9-24-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 31826431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).