2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole

C21H30N2O2 — CID 102276347

IUPAC2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1
InChIInChI=1S/C21H30N2O2/c1-13-8-14(2)17(10-19-23-21(6,7)12-25-19)15(3)16(13)9-18-22-20(4,5)11-24-18/h8H,9-12H2,1-7H3
InChIKeyHNKGOVPBEZTWAC-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.11
Rot. Bonds4

About 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole

2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 102276347) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID102276347
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1
InChIInChI=1S/C21H30N2O2/c1-13-8-14(2)17(10-19-23-21(6,7)12-25-19)15(3)16(13)9-18-22-20(4,5)11-24-18/h8H,9-12H2,1-7H3
InChIKeyHNKGOVPBEZTWAC-UHFFFAOYSA-N
XLogP4.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-6-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11057901
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 11586942
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 86092666
2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092678
2-[1-(2-ethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092680
2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092682
4,4-dimethyl-2-[1-(2-methylphenyl)cyclohexyl]-5H-1,3-oxazole
CID 86092683
2-[1-(2-ethylphenyl)cyclohexyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092685

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 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) is 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1.
What is the InChIKey of 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HNKGOVPBEZTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-13-8-14(2)17(10-19-23-21(6,7)12-25-19)15(3)16(13)9-18-22-20(4,5)11-24-18/h8H,9-12H2,1-7H3.
What are the key properties of 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 342.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 102276347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).