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

C21H30N2O2 — CID 102579629

IUPAC(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(CCc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H30N2O2/c1-14(2)18-12-24-20(22-18)17(11-10-16-8-6-5-7-9-16)21-23-19(13-25-21)15(3)4/h5-9,14-15,17-19H,10-13H2,1-4H3/t18-,19-/m1/s1
InChIKeyAQWNUEKGEKDGGB-RTBURBONSA-N
MW342.48 g/mol
LogP4.14
Rot. Bonds7

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

(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 102579629) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID102579629
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(CCc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C21H30N2O2/c1-14(2)18-12-24-20(22-18)17(11-10-16-8-6-5-7-9-16)21-23-19(13-25-21)15(3)4/h5-9,14-15,17-19H,10-13H2,1-4H3/t18-,19-/m1/s1
InChIKeyAQWNUEKGEKDGGB-RTBURBONSA-N
XLogP4.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
(2R)-2-chloro-1,1-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethanolate
CID 101040563
1-[3-[[bis[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]amino]methyl]phenyl]-N,N-bis[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
CID 69031096
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
CID 54215108
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 10895469
(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101459148
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
2-methyl-4-phenylbutane-1,1-diol
CID 20647936

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 102579629) is (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(CCc2ccccc2)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is AQWNUEKGEKDGGB-RTBURBONSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14(2)18-12-24-20(22-18)17(11-10-16-8-6-5-7-9-16)21-23-19(13-25-21)15(3)4/h5-9,14-15,17-19H,10-13H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 342.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102579629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).