(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one

C20H22NO5P — CID 171341392

IUPAC(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCCOP(=O)(OCC)c1ccc([C@@]2(C)N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H22NO5P/c1-4-24-27(23,25-5-2)17-13-11-16(12-14-17)20(3)19(22)26-18(21-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t20-/m1/s1
InChIKeyQZDWBVVSJOUJEZ-HXUWFJFHSA-N
MW387.37 g/mol
LogP3.80
Rot. Bonds7

About (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one

(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 171341392) has the molecular formula C20H22NO5P and a molecular weight of 387.37 g/mol. Its IUPAC name is (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID171341392
Molecular FormulaC20H22NO5P
Molecular Weight387.37 g/mol
Exact Mass387.12
IUPAC Name(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESCCOP(=O)(OCC)c1ccc([C@@]2(C)N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C20H22NO5P/c1-4-24-27(23,25-5-2)17-13-11-16(12-14-17)20(3)19(22)26-18(21-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t20-/m1/s1
InChIKeyQZDWBVVSJOUJEZ-HXUWFJFHSA-N
XLogP3.80
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(R)-4-isopropyl-2-phenyl-4-(4-(trifluoromethyl)phenyl)oxazol-5(4H)-one
CID 171341337
(R)-4-(4-fluorophenyl)-4-isopropyl-2-phenyloxazol-5(4H)-one
CID 171341338
5(4H)-Oxazolone, 4-methyl-2,4-diphenyl-
CID 10999497
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-[(1S)-cyclohex-2-en-1-yl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
CID 57160608
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581
4-(Fluoromethyl)-4-[(4-methylphenyl)methyl]-2-phenyl-1,3-oxazol-5-one
CID 169869473
4-Benzyl-2,4-diphenyl-1,3-oxazol-5-one
CID 11416170
tert-butyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 12110637

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 171341392) is (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one is CCOP(=O)(OCC)c1ccc([C@@]2(C)N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is QZDWBVVSJOUJEZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22NO5P/c1-4-24-27(23,25-5-2)17-13-11-16(12-14-17)20(3)19(22)26-18(21-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t20-/m1/s1.
What are the key properties of (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
(4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 387.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-diethoxyphosphorylphenyl)-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 171341392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).