5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole

C16H22NO4P — CID 15877643

IUPAC5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole
SMILESCCOP(=O)(OCC)C(Cc1ccccc1)c1cc(C)no1
InChIInChI=1S/C16H22NO4P/c1-4-19-22(18,20-5-2)16(15-11-13(3)17-21-15)12-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3
InChIKeyMFCFKBOSIJRGEU-UHFFFAOYSA-N
MW323.33 g/mol
LogP4.53
Rot. Bonds8

About 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole

5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole (PubChem CID 15877643) has the molecular formula C16H22NO4P and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole
PubChem CID15877643
Molecular FormulaC16H22NO4P
Molecular Weight323.33 g/mol
Exact Mass323.13
IUPAC Name5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole
SMILESCCOP(=O)(OCC)C(Cc1ccccc1)c1cc(C)no1
InChIInChI=1S/C16H22NO4P/c1-4-19-22(18,20-5-2)16(15-11-13(3)17-21-15)12-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3
InChIKeyMFCFKBOSIJRGEU-UHFFFAOYSA-N
XLogP4.53
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(1-diethoxyphosphoryl-2-phenylethyl)naphthalene
CID 54302154
4-(1-diethoxyphosphoryl-2-pyridin-3-ylethyl)-2,6-dimethylphenol
CID 87871953
(1R,2S)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-diphenylpropan-1-ol
CID 10756139
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
2-[2-(3,4-dichlorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene
CID 24948039
2-[2-(3-chlorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene
CID 24947480
(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
CID 14908454
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzofuran
CID 24947669

Frequently Asked Questions

What is the IUPAC name of 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole (CID 15877643) is 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole is CCOP(=O)(OCC)C(Cc1ccccc1)c1cc(C)no1.
What is the InChIKey of 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole?
The InChIKey is MFCFKBOSIJRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO4P/c1-4-19-22(18,20-5-2)16(15-11-13(3)17-21-15)12-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3.
What are the key properties of 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole?
5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole has a molecular weight of 323.33 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-diethoxyphosphoryl-2-phenylethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 15877643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).