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

C23H25FN2O3 — CID 55748394

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16(2)28-15-18-5-3-17(4-6-18)13-25-22(27)11-12-23-26-14-21(29-23)19-7-9-20(24)10-8-19/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,27)
InChIKeyBWQRGRHCRPUVOC-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.65
Rot. Bonds9

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 55748394) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID55748394
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H25FN2O3/c1-16(2)28-15-18-5-3-17(4-6-18)13-25-22(27)11-12-23-26-14-21(29-23)19-7-9-20(24)10-8-19/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,27)
InChIKeyBWQRGRHCRPUVOC-UHFFFAOYSA-N
XLogP4.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30894313
3-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134021509
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51314587
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 46442159
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 55748394) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is BWQRGRHCRPUVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-16(2)28-15-18-5-3-17(4-6-18)13-25-22(27)11-12-23-26-14-21(29-23)19-7-9-20(24)10-8-19/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,27).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 396.46 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55748394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).