(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C22H27NO2 — CID 11290676

IUPAC(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCO[C@](CC1=N[C@@H](C(C)C)CO1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(2)20-16-25-21(23-20)15-22(24-3,19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3/t20-,22+/m1/s1
InChIKeyMYXHDARWEXBTCV-IRLDBZIGSA-N
MW337.46 g/mol
LogP4.61
Rot. Bonds7

About (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 11290676) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID11290676
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCO[C@](CC1=N[C@@H](C(C)C)CO1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(2)20-16-25-21(23-20)15-22(24-3,19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3/t20-,22+/m1/s1
InChIKeyMYXHDARWEXBTCV-IRLDBZIGSA-N
XLogP4.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

Moxastine
CID 19142
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
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4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
6-Benzyl-2-ethyl-5-methyl-6-phenyl-4,5-dihydro-1,3-oxazine
CID 12372430
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
benzyl (4S)-2-benzyl-4,5-dihydrooxazole-4-carboxylate
CID 46201291
2-(4-Heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519398
2-(4-Octylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519399

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 11290676) is (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CO[C@](CC1=N[C@@H](C(C)C)CO1)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is MYXHDARWEXBTCV-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(2)20-16-25-21(23-20)15-22(24-3,19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3/t20-,22+/m1/s1.
What are the key properties of (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 337.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(2S)-2-methoxy-2,3-diphenylpropyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11290676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).