(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole

C19H27NO2 — CID 134927603

IUPAC(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC([C@]2(c3ccccc3)OC(C)(C)C2(C)C)=N1
InChIInChI=1S/C19H27NO2/c1-13(2)15-12-21-16(20-15)19(14-10-8-7-9-11-14)17(3,4)18(5,6)22-19/h7-11,13,15H,12H2,1-6H3/t15-,19+/m1/s1
InChIKeyNTFOULWRSFDLBN-BEFAXECRSA-N
MW301.43 g/mol
LogP4.17
Rot. Bonds3

About (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 134927603) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID134927603
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC([C@]2(c3ccccc3)OC(C)(C)C2(C)C)=N1
InChIInChI=1S/C19H27NO2/c1-13(2)15-12-21-16(20-15)19(14-10-8-7-9-11-14)17(3,4)18(5,6)22-19/h7-11,13,15H,12H2,1-6H3/t15-,19+/m1/s1
InChIKeyNTFOULWRSFDLBN-BEFAXECRSA-N
XLogP4.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(3,3,4,4-tetramethyl-2-phenyloxetan-2-yl)-5H-1,3-oxazole
CID 134880637
Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-2-phenyl-, (4S)-
CID 11056901
1,2-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 14868980
(4S)-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11322544
2-(2-ethyl-3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 12969918
(4S,5S)-2-[[(E)-but-2-enoxy]methyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 13397311
2-[(2S,3R)-2,3-dimethyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 15402864
4-(Tert-butyl)-2-phenyl-4,5-dihydrooxazole
CID 100974687
(4S)-2-[(2R)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117327
(4S)-2-[(2S,3R)-3-phenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101267687
(4S)-4-tert-butyl-2-[(2S,3S)-3-methoxy-2-methyl-3-phenylpropyl]-4,5-dihydro-1,3-oxazole
CID 102303168
4,4-dimethyl-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-5H-1,3-oxazole
CID 102378790

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole (CID 134927603) is (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC([C@]2(c3ccccc3)OC(C)(C)C2(C)C)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NTFOULWRSFDLBN-BEFAXECRSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13(2)15-12-21-16(20-15)19(14-10-8-7-9-11-14)17(3,4)18(5,6)22-19/h7-11,13,15H,12H2,1-6H3/t15-,19+/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 301.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[(2R)-3,3,4,4-tetramethyl-2-phenyloxetan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134927603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).