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

C22H25N2O5P — CID 87889954

IUPACN-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(C)cc2)cc1)OC
InChIInChI=1S/C22H25N2O5P/c1-16-4-8-18(9-5-16)22-19(14-23-29-22)10-13-21(25)24-20-11-6-17(7-12-20)15-30(26,27-2)28-3/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,24,25)
InChIKeyUMLABGRRWPGRRQ-UHFFFAOYSA-N
MW428.43 g/mol
LogP5.21
Rot. Bonds9

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

N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 87889954) has the molecular formula C22H25N2O5P and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID87889954
Molecular FormulaC22H25N2O5P
Molecular Weight428.43 g/mol
Exact Mass428.15
IUPAC NameN-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(C)cc2)cc1)OC
InChIInChI=1S/C22H25N2O5P/c1-16-4-8-18(9-5-16)22-19(14-23-29-22)10-13-21(25)24-20-11-6-17(7-12-20)15-30(26,27-2)28-3/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,24,25)
InChIKeyUMLABGRRWPGRRQ-UHFFFAOYSA-N
XLogP5.21
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-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-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889547
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 10276319
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
N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221010
3-[5-(4-chloro-3-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87889750
N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221166
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889597
3-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethoxyphosphorylmethyl)phenyl]propanamide
CID 139968628
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
CID 86591382
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,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 87889954) is N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is COP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(C)cc2)cc1)OC.
What is the InChIKey of N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is UMLABGRRWPGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O5P/c1-16-4-8-18(9-5-16)22-19(14-23-29-22)10-13-21(25)24-20-11-6-17(7-12-20)15-30(26,27-2)28-3/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,24,25).
What are the key properties of N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 428.43 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 87889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).