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

C29H35N3O3 — CID 11155717

IUPAC(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1c(CC2=N[C@H](C)CO2)c(C)c(CC2=N[C@@H](c3ccccc3)CO2)c(C)c1CC1=N[C@H](C)CO1
InChIInChI=1S/C29H35N3O3/c1-17-14-33-27(30-17)11-23-19(3)24(12-28-31-18(2)15-34-28)21(5)25(20(23)4)13-29-32-26(16-35-29)22-9-7-6-8-10-22/h6-10,17-18,26H,11-16H2,1-5H3/t17-,18-,26-/m1/s1
InChIKeyMTJIPWGMCWANQL-UYPAYLBCSA-N
MW473.62 g/mol
LogP5.04
Rot. Bonds7

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

(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11155717) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID11155717
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1c(CC2=N[C@H](C)CO2)c(C)c(CC2=N[C@@H](c3ccccc3)CO2)c(C)c1CC1=N[C@H](C)CO1
InChIInChI=1S/C29H35N3O3/c1-17-14-33-27(30-17)11-23-19(3)24(12-28-31-18(2)15-34-28)21(5)25(20(23)4)13-29-32-26(16-35-29)22-9-7-6-8-10-22/h6-10,17-18,26H,11-16H2,1-5H3/t17-,18-,26-/m1/s1
InChIKeyMTJIPWGMCWANQL-UYPAYLBCSA-N
XLogP5.04
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole (CID 11155717) is (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is Cc1c(CC2=N[C@H](C)CO2)c(C)c(CC2=N[C@@H](c3ccccc3)CO2)c(C)c1CC1=N[C@H](C)CO1.
What is the InChIKey of (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MTJIPWGMCWANQL-UYPAYLBCSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-17-14-33-27(30-17)11-23-19(3)24(12-28-31-18(2)15-34-28)21(5)25(20(23)4)13-29-32-26(16-35-29)22-9-7-6-8-10-22/h6-10,17-18,26H,11-16H2,1-5H3/t17-,18-,26-/m1/s1.
What are the key properties of (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 473.62 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).