(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

C20H23NO — CID 101150502

IUPAC(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C20H23NO/c1-14-18(15-8-6-5-7-9-15)22-19(21-14)16-10-12-17(13-11-16)20(2,3)4/h5-14,18H,1-4H3/t14-,18+/m1/s1
InChIKeyGFPUIGUROXWVAR-KDOFPFPSSA-N
MW293.41 g/mol
LogP4.89
Rot. Bonds2

About (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 101150502) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID101150502
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C20H23NO/c1-14-18(15-8-6-5-7-9-15)22-19(21-14)16-10-12-17(13-11-16)20(2,3)4/h5-14,18H,1-4H3/t14-,18+/m1/s1
InChIKeyGFPUIGUROXWVAR-KDOFPFPSSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-4-methyl-2-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 15896957
3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
CID 102414963
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15112120
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
4-[(4R,5S,6R)-5-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl]benzonitrile
CID 10545942
methyl (4S,5S)-2-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923484

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 101150502) is (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is C[C@H]1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GFPUIGUROXWVAR-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-18(15-8-6-5-7-9-15)22-19(21-14)16-10-12-17(13-11-16)20(2,3)4/h5-14,18H,1-4H3/t14-,18+/m1/s1.
What are the key properties of (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 293.41 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101150502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).