N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

C25H20N2O6 — CID 17163340

IUPACN-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C25H20N2O6/c1-29-20-11-15(12-21(30-2)23(20)31-3)25-27-17-13-16(8-9-19(17)33-25)26-24(28)22-10-14-6-4-5-7-18(14)32-22/h4-13H,1-3H3,(H,26,28)
InChIKeyCSUIIEOTNKUWET-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.52
Rot. Bonds6

About N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 17163340) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID17163340
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C25H20N2O6/c1-29-20-11-15(12-21(30-2)23(20)31-3)25-27-17-13-16(8-9-19(17)33-25)26-24(28)22-10-14-6-4-5-7-18(14)32-22/h4-13H,1-3H3,(H,26,28)
InChIKeyCSUIIEOTNKUWET-UHFFFAOYSA-N
XLogP5.52
TPSA95.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-3-methoxy-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
CID 17163355
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 17163354
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17163361
N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340360
2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 17115130
3-(2-methylpropoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17163393
(E)-3-(furan-2-yl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 17163371
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-1-benzofuran-2-carboxamide
CID 135579943

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide (CID 17163340) is N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide is COc1cc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is CSUIIEOTNKUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-29-20-11-15(12-21(30-2)23(20)31-3)25-27-17-13-16(8-9-19(17)33-25)26-24(28)22-10-14-6-4-5-7-18(14)32-22/h4-13H,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17163340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).