(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C15H21NO — CID 11764344

IUPAC(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-11(2)13-10-17-14(16-13)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1
InChIKeyLRJVCEYZTYOXFP-CYBMUJFWSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds3

About (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11764344) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11764344
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)c2ccccc2)=N1
InChIInChI=1S/C15H21NO/c1-11(2)13-10-17-14(16-13)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1
InChIKeyLRJVCEYZTYOXFP-CYBMUJFWSA-N
XLogP3.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
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
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
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-2-[2-(2-bromophenyl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11232131

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11764344) is (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(C)(C)c2ccccc2)=N1.
What is the InChIKey of (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is LRJVCEYZTYOXFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)13-10-17-14(16-13)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-phenylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11764344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).