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

C24H36N2O2 — CID 143100329

IUPAC4-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
SMILESCCCC1COC(CCc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1
InChIInChI=1S/C24H36N2O2/c1-6-8-19-14-27-23(25-19)11-10-21-16(3)12-17(4)22(18(21)5)13-24-26-20(9-7-2)15-28-24/h12,19-20H,6-11,13-15H2,1-5H3
InChIKeyFKVRANPOZNSSTH-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.28
Rot. Bonds9

About 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

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 (PubChem CID 143100329) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID143100329
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name4-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
SMILESCCCC1COC(CCc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1
InChIInChI=1S/C24H36N2O2/c1-6-8-19-14-27-23(25-19)11-10-21-16(3)12-17(4)22(18(21)5)13-24-26-20(9-7-2)15-28-24/h12,19-20H,6-11,13-15H2,1-5H3
InChIKeyFKVRANPOZNSSTH-UHFFFAOYSA-N
XLogP5.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
(4S)-4-phenyl-2-[[2,4,6-triethyl-3,5-bis[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074954
2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101388862
(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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1COC(CCc2c(C)cc(C)c(CC3=NC(CCC)CO3)c2C)=N1.
What is the InChIKey of 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?
The InChIKey is FKVRANPOZNSSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-6-8-19-14-27-23(25-19)11-10-21-16(3)12-17(4)22(18(21)5)13-24-26-20(9-7-2)15-28-24/h12,19-20H,6-11,13-15H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 384.56 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143100329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).