(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole

C16H23NO2 — CID 58626939

IUPAC(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(Oc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-11-18-14(17-13)16(4,5)19-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1
InChIKeyYOYSIFKHICPCOX-CYBMUJFWSA-N
MW261.36 g/mol
LogP3.69
Rot. Bonds3

About (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 58626939) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID58626939
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(Oc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13-11-18-14(17-13)16(4,5)19-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1
InChIKeyYOYSIFKHICPCOX-CYBMUJFWSA-N
XLogP3.69
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole (CID 58626939) is (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)(Oc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YOYSIFKHICPCOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)13-11-18-14(17-13)16(4,5)19-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 261.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58626939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).