(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole

C26H27NO — CID 71079519

IUPAC(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole
SMILESCC[C@]1(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C)COC(C)=N1
InChIInChI=1S/C26H27NO/c1-4-26(18-28-20(3)27-26)17-24-11-8-12-25(19(24)2)23-15-13-22(14-16-23)21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3/t26-/m0/s1
InChIKeyJDLNKGKFLGXENC-SANMLTNESA-N
MW369.51 g/mol
LogP6.47
Rot. Bonds5

About (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole

(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole (PubChem CID 71079519) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole
PubChem CID71079519
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole
SMILESCC[C@]1(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C)COC(C)=N1
InChIInChI=1S/C26H27NO/c1-4-26(18-28-20(3)27-26)17-24-11-8-12-25(19(24)2)23-15-13-22(14-16-23)21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3/t26-/m0/s1
InChIKeyJDLNKGKFLGXENC-SANMLTNESA-N
XLogP6.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole?
The IUPAC name of (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole (CID 71079519) is (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole.
What is the SMILES notation for (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole?
The canonical SMILES for (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole is CC[C@]1(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C)COC(C)=N1.
What is the InChIKey of (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole?
The InChIKey is JDLNKGKFLGXENC-SANMLTNESA-N. The full InChI is InChI=1S/C26H27NO/c1-4-26(18-28-20(3)27-26)17-24-11-8-12-25(19(24)2)23-15-13-22(14-16-23)21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3/t26-/m0/s1.
What are the key properties of (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole?
(4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole has a molecular weight of 369.51 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-2-methyl-4-[[2-methyl-3-(4-phenylphenyl)phenyl]methyl]-5H-1,3-oxazole is sourced from PubChem (CID 71079519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).