tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate

C20H21NO3 — CID 135031330

IUPACtert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2,3)23-19(22)21-17(15-10-6-4-7-11-15)14-18(24-21)16-12-8-5-9-13-16/h4-14,17H,1-3H3
InChIKeyGRSMABNKMSTFBZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.95
Rot. Bonds2

About tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate

tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate (PubChem CID 135031330) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate
PubChem CID135031330
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nametert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(2,3)23-19(22)21-17(15-10-6-4-7-11-15)14-18(24-21)16-12-8-5-9-13-16/h4-14,17H,1-3H3
InChIKeyGRSMABNKMSTFBZ-UHFFFAOYSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate 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

tert-butyl 3-phenyl-3,6-dihydrooxazine-2-carboxylate
CID 11207712
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
2-O-tert-butyl 4-O-ethyl 5-methyl-3-phenyl-3H-1,2-oxazole-2,4-dicarboxylate
CID 135032423
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
1-O-tert-butyl 2-O-methyl (2S,5R)-5-phenyl-2,5-dihydropyrrole-1,2-dicarboxylate
CID 11197438
ditert-butyl 3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate
CID 139206037
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylazetidine-2-carboxylic acid
CID 171397063
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate?
The IUPAC name of tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate (CID 135031330) is tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate.
What is the SMILES notation for tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate?
The canonical SMILES for tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate is CC(C)(C)OC(=O)N1OC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate?
The InChIKey is GRSMABNKMSTFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2,3)23-19(22)21-17(15-10-6-4-7-11-15)14-18(24-21)16-12-8-5-9-13-16/h4-14,17H,1-3H3.
What are the key properties of tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate?
tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate is sourced from PubChem (CID 135031330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).