3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide

C25H23FN2O4 — CID 46442159

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H23FN2O4/c26-21-8-6-20(7-9-21)23-15-28-25(32-23)11-10-24(29)27-14-18-3-1-4-19(13-18)16-30-17-22-5-2-12-31-22/h1-9,12-13,15H,10-11,14,16-17H2,(H,27,29)
InChIKeyXSLXXAXUBNFKPB-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.04
Rot. Bonds10

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide (PubChem CID 46442159) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
PubChem CID46442159
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H23FN2O4/c26-21-8-6-20(7-9-21)23-15-28-25(32-23)11-10-24(29)27-14-18-3-1-4-19(13-18)16-30-17-22-5-2-12-31-22/h1-9,12-13,15H,10-11,14,16-17H2,(H,27,29)
InChIKeyXSLXXAXUBNFKPB-UHFFFAOYSA-N
XLogP5.04
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55661087
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55748394
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43042083
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-[[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876892

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide (CID 46442159) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is XSLXXAXUBNFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c26-21-8-6-20(7-9-21)23-15-28-25(32-23)11-10-24(29)27-14-18-3-1-4-19(13-18)16-30-17-22-5-2-12-31-22/h1-9,12-13,15H,10-11,14,16-17H2,(H,27,29).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 434.47 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46442159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).