N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide

C22H25N2O5P — CID 87889786

IUPACN-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
SMILESCOP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OC
InChIInChI=1S/C22H25N2O5P/c1-27-30(26,28-2)16-17-11-13-20(14-12-17)24-21(25)10-6-9-19-15-23-29-22(19)18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10,16H2,1-2H3,(H,24,25)
InChIKeyBCZUYNVAWQDOAY-UHFFFAOYSA-N
MW428.43 g/mol
LogP5.29
Rot. Bonds10

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

N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide (PubChem CID 87889786) has the molecular formula C22H25N2O5P and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
PubChem CID87889786
Molecular FormulaC22H25N2O5P
Molecular Weight428.43 g/mol
Exact Mass428.15
IUPAC NameN-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
SMILESCOP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OC
InChIInChI=1S/C22H25N2O5P/c1-27-30(26,28-2)16-17-11-13-20(14-12-17)24-21(25)10-6-9-19-15-23-29-22(19)18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10,16H2,1-2H3,(H,24,25)
InChIKeyBCZUYNVAWQDOAY-UHFFFAOYSA-N
XLogP5.29
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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-imidazol-1-ylphenyl)-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221318
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
4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
CID 22221097
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanamide
CID 86591382
3-[5-(4-chloro-3-fluorophenyl)-1,2-oxazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]propanamide
CID 87889750
N-[4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]phenyl]-3-(5-phenyl-1,2-oxazol-4-yl)propanamide
CID 87892510
N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221166

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide (CID 87889786) is N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide is COP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OC.
What is the InChIKey of N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is BCZUYNVAWQDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O5P/c1-27-30(26,28-2)16-17-11-13-20(14-12-17)24-21(25)10-6-9-19-15-23-29-22(19)18-7-4-3-5-8-18/h3-5,7-8,11-15H,6,9-10,16H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 428.43 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 87889786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).