2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C26H26FN3O4 — CID 66591702

IUPAC2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCc2cccc(OCc3cccc(F)c3)c2)Cc2ccco2)on1
InChIInChI=1S/C26H26FN3O4/c1-19-13-26(34-29-19)28-25(31)17-30(16-24-9-4-12-32-24)11-10-20-5-3-8-23(15-20)33-18-21-6-2-7-22(27)14-21/h2-9,12-15H,10-11,16-18H2,1H3,(H,28,31)
InChIKeyMYFRIYKHTXIUGL-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.98
Rot. Bonds11

About 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 66591702) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID66591702
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCc2cccc(OCc3cccc(F)c3)c2)Cc2ccco2)on1
InChIInChI=1S/C26H26FN3O4/c1-19-13-26(34-29-19)28-25(31)17-30(16-24-9-4-12-32-24)11-10-20-5-3-8-23(15-20)33-18-21-6-2-7-22(27)14-21/h2-9,12-15H,10-11,16-18H2,1H3,(H,28,31)
InChIKeyMYFRIYKHTXIUGL-UHFFFAOYSA-N
XLogP4.98
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 66591702) is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN(CCc2cccc(OCc3cccc(F)c3)c2)Cc2ccco2)on1.
What is the InChIKey of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is MYFRIYKHTXIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-19-13-26(34-29-19)28-25(31)17-30(16-24-9-4-12-32-24)11-10-20-5-3-8-23(15-20)33-18-21-6-2-7-22(27)14-21/h2-9,12-15H,10-11,16-18H2,1H3,(H,28,31).
What are the key properties of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 463.51 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 66591702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).