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

C13H17NO — CID 100974687

IUPAC(4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyZRTJCMABQDWDRU-NSHDSACASA-N
MW203.29 g/mol
LogP2.88
Rot. Bonds1

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

(4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 100974687) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID100974687
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyZRTJCMABQDWDRU-NSHDSACASA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 100974687) is (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZRTJCMABQDWDRU-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 100974687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).