(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

C17H22N2O2 — CID 135082755

IUPAC(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(C(C)(C)C2=N[C@@H](Cc3ccccc3)CO2)=N1
InChIInChI=1S/C17H22N2O2/c1-12-10-20-15(18-12)17(2,3)16-19-14(11-21-16)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m0/s1
InChIKeyZJIQCSOAQCHOGQ-JSGCOSHPSA-N
MW286.37 g/mol
LogP2.87
Rot. Bonds4

About (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 135082755) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID135082755
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(C(C)(C)C2=N[C@@H](Cc3ccccc3)CO2)=N1
InChIInChI=1S/C17H22N2O2/c1-12-10-20-15(18-12)17(2,3)16-19-14(11-21-16)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m0/s1
InChIKeyZJIQCSOAQCHOGQ-JSGCOSHPSA-N
XLogP2.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58510227
2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl-diphenylphosphane
CID 170897725
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
(4S)-4-benzyl-2-[difluoro-(4-methoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazole
CID 71698320
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
CID 100967036
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
CID 135432223
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4S)-4-benzyl-2-[[3,5-bis[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074951
[(4R)-2-[2-[(4R)-4-(benzoyloxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methyl benzoate
CID 101359792
(4S)-4-benzyl-2-[(2S)-2-methylbutyl]-4,5-dihydro-1,3-oxazole
CID 130474058

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 135082755) is (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is C[C@H]1COC(C(C)(C)C2=N[C@@H](Cc3ccccc3)CO2)=N1.
What is the InChIKey of (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZJIQCSOAQCHOGQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-10-20-15(18-12)17(2,3)16-19-14(11-21-16)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 286.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135082755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).