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

C24H28FN2O5P — CID 22221166

IUPACN-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCCOP(=O)(CCc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OCC
InChIInChI=1S/C24H28FN2O5P/c1-3-30-33(29,31-4-2)16-15-18-5-12-22(13-6-18)27-23(28)14-9-20-17-26-32-24(20)19-7-10-21(25)11-8-19/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,27,28)
InChIKeyLSQPOKZJTKIPML-UHFFFAOYSA-N
MW474.47 g/mol
LogP5.86
Rot. Bonds12

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

N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 22221166) has the molecular formula C24H28FN2O5P and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID22221166
Molecular FormulaC24H28FN2O5P
Molecular Weight474.47 g/mol
Exact Mass474.17
IUPAC NameN-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCCOP(=O)(CCc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OCC
InChIInChI=1S/C24H28FN2O5P/c1-3-30-33(29,31-4-2)16-15-18-5-12-22(13-6-18)27-23(28)14-9-20-17-26-32-24(20)19-7-10-21(25)11-8-19/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,27,28)
InChIKeyLSQPOKZJTKIPML-UHFFFAOYSA-N
XLogP5.86
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 10276319
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889547
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87890022
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]propanamide
CID 87890103
3-[5-(4-chloro-3-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87889750
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889597
N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221010
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 139968662
N-[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87893244
N-[4-(1,5-dihydro-1,2,4-triazol-4-ylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 139968654
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 139920480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 22221166) is N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is CCOP(=O)(CCc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OCC.
What is the InChIKey of N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is LSQPOKZJTKIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN2O5P/c1-3-30-33(29,31-4-2)16-15-18-5-12-22(13-6-18)27-23(28)14-9-20-17-26-32-24(20)19-7-10-21(25)11-8-19/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,27,28).
What are the key properties of N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 474.47 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 22221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).