N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide

C26H24FN3O5 — CID 42371739

IUPACN-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4ccc(F)cc4)c(C)o3)cc2)o1
InChIInChI=1S/C26H24FN3O5/c1-16-22(14-28-24(31)13-17-3-7-19(27)8-4-17)30-26(34-16)18-5-9-20(10-6-18)29-25(32)23-12-11-21(35-23)15-33-2/h3-12H,13-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJZJGNOZKXGMDCS-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.64
Rot. Bonds9

About N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide

N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 42371739) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID42371739
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4ccc(F)cc4)c(C)o3)cc2)o1
InChIInChI=1S/C26H24FN3O5/c1-16-22(14-28-24(31)13-17-3-7-19(27)8-4-17)30-26(34-16)18-5-9-20(10-6-18)29-25(32)23-12-11-21(35-23)15-33-2/h3-12H,13-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJZJGNOZKXGMDCS-UHFFFAOYSA-N
XLogP4.64
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide (CID 42371739) is N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)Cc4ccc(F)cc4)c(C)o3)cc2)o1.
What is the InChIKey of N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is JZJGNOZKXGMDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-16-22(14-28-24(31)13-17-3-7-19(27)8-4-17)30-26(34-16)18-5-9-20(10-6-18)29-25(32)23-12-11-21(35-23)15-33-2/h3-12H,13-15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 42371739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).