N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H19N3O5 — CID 55448027

IUPACN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H19N3O5/c27-22(17-14-19(31-25-17)15-6-2-1-3-7-15)24-20-16-8-4-5-9-18(16)30-21(20)23(28)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H,24,27)
InChIKeyHPWYZYWAEFUFMB-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 55448027) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID55448027
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H19N3O5/c27-22(17-14-19(31-25-17)15-6-2-1-3-7-15)24-20-16-8-4-5-9-18(16)30-21(20)23(28)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H,24,27)
InChIKeyHPWYZYWAEFUFMB-UHFFFAOYSA-N
XLogP3.81
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 55448027) is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HPWYZYWAEFUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c27-22(17-14-19(31-25-17)15-6-2-1-3-7-15)24-20-16-8-4-5-9-18(16)30-21(20)23(28)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H,24,27).
What are the key properties of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55448027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).