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

C29H43N3O3 — CID 177408305

IUPAC4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole
SMILESCc1c(CC2=N[C@@H](C(C)C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C29H43N3O3/c1-16(2)24-13-33-26(30-24)10-21-18(5)22(11-27-31-25(14-34-27)17(3)4)20(7)23(19(21)6)12-28-32-29(8,9)15-35-28/h16-17,24-25H,10-15H2,1-9H3/t24-,25-/m1/s1
InChIKeyXPCUGOMUOLYEKM-JWQCQUIFSA-N
MW481.68 g/mol
LogP5.35
Rot. Bonds8

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

4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole (PubChem CID 177408305) has the molecular formula C29H43N3O3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole
PubChem CID177408305
Molecular FormulaC29H43N3O3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole
SMILESCc1c(CC2=N[C@@H](C(C)C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C29H43N3O3/c1-16(2)24-13-33-26(30-24)10-21-18(5)22(11-27-31-25(14-34-27)17(3)4)20(7)23(19(21)6)12-28-32-29(8,9)15-35-28/h16-17,24-25H,10-15H2,1-9H3/t24-,25-/m1/s1
InChIKeyXPCUGOMUOLYEKM-JWQCQUIFSA-N
XLogP5.35
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(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
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-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11166913
2-[[3,5-Bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101011542
4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole
CID 22949524
1,3-Bis[(4-ethyl-4,5,-dihydro-2-oxazolyl)methyl]benzene
CID 58810716
4-Propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 58810718
4-Propan-2-yl-2-[[4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 58810719
2-[[2-Methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 70879083
2-[1-[3-[1-(4,5-Dihydro-1,3-oxazol-2-yl)ethyl]phenyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 141684228
2-[1-[2-[1-(4,5-Dihydro-1,3-oxazol-2-yl)ethyl]phenyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 141684234
4-Propyl-2-[[2,4,6-trimethyl-3-[2-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 143100329

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole (CID 177408305) is 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole is Cc1c(CC2=N[C@@H](C(C)C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=N[C@@H](C(C)C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole?
The InChIKey is XPCUGOMUOLYEKM-JWQCQUIFSA-N. The full InChI is InChI=1S/C29H43N3O3/c1-16(2)24-13-33-26(30-24)10-21-18(5)22(11-27-31-25(14-34-27)17(3)4)20(7)23(19(21)6)12-28-32-29(8,9)15-35-28/h16-17,24-25H,10-15H2,1-9H3/t24-,25-/m1/s1.
What are the key properties of 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole has a molecular weight of 481.68 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[2,4,6-trimethyl-3,5-bis[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-5H-1,3-oxazole is sourced from PubChem (CID 177408305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).