(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole

C20H23NO2 — CID 10828694

IUPAC(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCCOC1=N[C@@H](C(C)C)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H23NO2/c1-4-22-19-21-18(15(2)3)20(23-19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t18-/m0/s1
InChIKeyQVSFJLFJLZVQOV-SFHVURJKSA-N
MW309.41 g/mol
LogP4.38
Rot. Bonds4

About (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole

(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole (PubChem CID 10828694) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
PubChem CID10828694
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCCOC1=N[C@@H](C(C)C)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H23NO2/c1-4-22-19-21-18(15(2)3)20(23-19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t18-/m0/s1
InChIKeyQVSFJLFJLZVQOV-SFHVURJKSA-N
XLogP4.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
(2R,3R)-3-(methoxymethoxy)-2,3-diphenylpropan-1-amine
CID 57391582
[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
CID 57393337
[(1S,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
CID 57398583
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954190
5-Methyl-2,5-diphenyl-2-oxazoline
CID 13191724
(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12254965
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134904827
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 164668216

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole (CID 10828694) is (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole is CCOC1=N[C@@H](C(C)C)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
The InChIKey is QVSFJLFJLZVQOV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-22-19-21-18(15(2)3)20(23-19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole?
(4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole has a molecular weight of 309.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethoxy-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 10828694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).