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

C24H29N2O5P — CID 22221010

IUPACN-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OCC
InChIInChI=1S/C24H29N2O5P/c1-3-29-32(28,30-4-2)18-19-13-15-22(16-14-19)26-23(27)12-8-11-21-17-25-31-24(21)20-9-6-5-7-10-20/h5-7,9-10,13-17H,3-4,8,11-12,18H2,1-2H3,(H,26,27)
InChIKeyCSAFYVUULGWNKS-UHFFFAOYSA-N
MW456.48 g/mol
LogP6.07
Rot. Bonds12

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

N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide (PubChem CID 22221010) has the molecular formula C24H29N2O5P and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
PubChem CID22221010
Molecular FormulaC24H29N2O5P
Molecular Weight456.48 g/mol
Exact Mass456.18
IUPAC NameN-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
SMILESCCOP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OCC
InChIInChI=1S/C24H29N2O5P/c1-3-29-32(28,30-4-2)18-19-13-15-22(16-14-19)26-23(27)12-8-11-21-17-25-31-24(21)20-9-6-5-7-10-20/h5-7,9-10,13-17H,3-4,8,11-12,18H2,1-2H3,(H,26,27)
InChIKeyCSAFYVUULGWNKS-UHFFFAOYSA-N
XLogP6.07
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 56.07
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-(dimethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 87889786
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]-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-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221166
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889597
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889547
N-(4-imidazol-1-ylphenyl)-4-(5-phenyl-1,2-oxazol-4-yl)butanamide
CID 22221318
4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
CID 22221097

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide (CID 22221010) is N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide is CCOP(=O)(Cc1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)OCC.
What is the InChIKey of N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is CSAFYVUULGWNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N2O5P/c1-3-29-32(28,30-4-2)18-19-13-15-22(16-14-19)26-23(27)12-8-11-21-17-25-31-24(21)20-9-6-5-7-10-20/h5-7,9-10,13-17H,3-4,8,11-12,18H2,1-2H3,(H,26,27).
What are the key properties of N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide?
N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 456.48 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(5-phenyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 22221010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).