2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole

C21H27N3O3 — CID 101011542

IUPAC2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1c(CC2=NCCO2)c(C)c(CC2=NCCO2)c(C)c1CC1=NCCO1
InChIInChI=1S/C21H27N3O3/c1-13-16(10-19-22-4-7-25-19)14(2)18(12-21-24-6-9-27-21)15(3)17(13)11-20-23-5-8-26-20/h4-12H2,1-3H3
InChIKeyZRERLCIVGNQZKK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.53
Rot. Bonds6

About 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole

2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101011542) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID101011542
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1c(CC2=NCCO2)c(C)c(CC2=NCCO2)c(C)c1CC1=NCCO1
InChIInChI=1S/C21H27N3O3/c1-13-16(10-19-22-4-7-25-19)14(2)18(12-21-24-6-9-27-21)15(3)17(13)11-20-23-5-8-26-20/h4-12H2,1-3H3
InChIKeyZRERLCIVGNQZKK-UHFFFAOYSA-N
XLogP2.53
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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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
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
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-[4-[1-(4,5-Dihydro-1,3-oxazol-2-yl)ethyl]phenyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 141684226
2-[1-[3-[1-(4,5-Dihydro-1,3-oxazol-2-yl)ethyl]phenyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 141684228
2-[[3-(4,5-Dihydro-1,3-oxazol-2-ylmethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 141684229
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 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 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) is 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole is Cc1c(CC2=NCCO2)c(C)c(CC2=NCCO2)c(C)c1CC1=NCCO1.
What is the InChIKey of 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZRERLCIVGNQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-16(10-19-22-4-7-25-19)14(2)18(12-21-24-6-9-27-21)15(3)17(13)11-20-23-5-8-26-20/h4-12H2,1-3H3.
What are the key properties of 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole?
2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 369.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101011542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).