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

C16H23NO — CID 100978570

IUPAC(4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-5-13(12-9-7-6-8-10-12)15-17-14(11-18-15)16(2,3)4/h6-10,13-14H,5,11H2,1-4H3/t13?,14-/m1/s1
InChIKeyZZTSMDAWIHUHSK-ARLHGKGLSA-N
MW245.37 g/mol
LogP4.02
Rot. Bonds3

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

(4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 100978570) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID100978570
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-5-13(12-9-7-6-8-10-12)15-17-14(11-18-15)16(2,3)4/h6-10,13-14H,5,11H2,1-4H3/t13?,14-/m1/s1
InChIKeyZZTSMDAWIHUHSK-ARLHGKGLSA-N
XLogP4.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
CID 2723589
AG-H-02521
CID 5325154
2-Trityl-4,5-dihydrooxazole
CID 24799664
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
CID 2723590
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole (CID 100978570) is (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole is CCC(C1=N[C@@H](C(C)(C)C)CO1)c1ccccc1.
What is the InChIKey of (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZZTSMDAWIHUHSK-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-13(12-9-7-6-8-10-12)15-17-14(11-18-15)16(2,3)4/h6-10,13-14H,5,11H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 245.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-(1-phenylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 100978570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).