3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole

C19H21NO — CID 134817927

IUPAC3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)c1cc(C2=NOCC2)cc(-c2ccccc2)c1
InChIInChI=1S/C19H21NO/c1-19(2,3)17-12-15(14-7-5-4-6-8-14)11-16(13-17)18-9-10-21-20-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeySMJLMCTZQWJHEP-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.78
Rot. Bonds2

About 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole

3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 134817927) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID134817927
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)c1cc(C2=NOCC2)cc(-c2ccccc2)c1
InChIInChI=1S/C19H21NO/c1-19(2,3)17-12-15(14-7-5-4-6-8-14)11-16(13-17)18-9-10-21-20-18/h4-8,11-13H,9-10H2,1-3H3
InChIKeySMJLMCTZQWJHEP-UHFFFAOYSA-N
XLogP4.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
(5S)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561969
3,5-Dibenzyl-4,5-dihydro-1,2-oxazole
CID 15270458
3-Phenyl-5-[(phenylselanyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71415539
3-Phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 15445645

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole (CID 134817927) is 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole is CC(C)(C)c1cc(C2=NOCC2)cc(-c2ccccc2)c1.
What is the InChIKey of 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SMJLMCTZQWJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)17-12-15(14-7-5-4-6-8-14)11-16(13-17)18-9-10-21-20-18/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole?
3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-5-phenylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).