(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

C23H34N2O2 — CID 102276346

IUPAC(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C23H34N2O2/c1-13(2)20-11-26-22(24-20)9-18-15(5)8-16(6)19(17(18)7)10-23-25-21(12-27-23)14(3)4/h8,13-14,20-21H,9-12H2,1-7H3/t20-,21-/m1/s1
InChIKeyPVRIEFMDZBOLPP-NHCUHLMSSA-N
MW370.54 g/mol
LogP4.60
Rot. Bonds6

About (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102276346) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID102276346
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C23H34N2O2/c1-13(2)20-11-26-22(24-20)9-18-15(5)8-16(6)19(17(18)7)10-23-25-21(12-27-23)14(3)4/h8,13-14,20-21H,9-12H2,1-7H3/t20-,21-/m1/s1
InChIKeyPVRIEFMDZBOLPP-NHCUHLMSSA-N
XLogP4.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-Ethyl-2-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-oxazole
CID 134855092
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
(S,S)-4,6-Bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene
CID 24744076
(4S,4'S)-2,2'-Bis((S)-1-(4-isobutylphenyl)ethyl)-4,4',5,5'-tetrahydro-4,4'-bioxazole
CID 66553847
2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092682
2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101388862
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 102276347
2-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 134855998
(4S)-2-[bis(3,5-ditert-butylphenyl)-[(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 134952772
[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methanol
CID 134972439
(4S)-2-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 134972440
(4S)-2-[2-(3,5-ditert-butylphenyl)-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 135016892

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 102276346) is (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is Cc1cc(C)c(CC2=N[C@@H](C(C)C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PVRIEFMDZBOLPP-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-13(2)20-11-26-22(24-20)9-18-15(5)8-16(6)19(17(18)7)10-23-25-21(12-27-23)14(3)4/h8,13-14,20-21H,9-12H2,1-7H3/t20-,21-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 370.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102276346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).