4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C18H22N2O4 — CID 10172057

IUPAC4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NOC(C(=O)N3C(=O)OCC3(C)C)C2)c(C)c1
InChIInChI=1S/C18H22N2O4/c1-10-6-11(2)15(12(3)7-10)13-8-14(24-19-13)16(21)20-17(22)23-9-18(20,4)5/h6-7,14H,8-9H2,1-5H3
InChIKeyCTZAUAJPMZEJKK-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.86
Rot. Bonds2

About 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10172057) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID10172057
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NOC(C(=O)N3C(=O)OCC3(C)C)C2)c(C)c1
InChIInChI=1S/C18H22N2O4/c1-10-6-11(2)15(12(3)7-10)13-8-14(24-19-13)16(21)20-17(22)23-9-18(20,4)5/h6-7,14H,8-9H2,1-5H3
InChIKeyCTZAUAJPMZEJKK-UHFFFAOYSA-N
XLogP2.86
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 10149601
4,4-Diethyl-3-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10236800
3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 139947563
Oxazoliden-2-one, N-[(3-mesityl-4-methyl-2-isoxazoline)-5-carbonyl]-, (E)-
CID 608760
[3-(2-Methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 24711968
Oxazolidin-2-one, N-[(3-mesityl-5-methyl-2-isoxazoline)-4-carbonyl]-, (E)-
CID 611827
(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10112865
3-[3-(4-Methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10125377
(4S)-4-benzyl-5,5-dimethyl-3-[(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10159118
4,4-Diethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 10171914
4,4-Diethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10172056
4,4-Dimethyl-3-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 10236402

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 10172057) is 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C2=NOC(C(=O)N3C(=O)OCC3(C)C)C2)c(C)c1.
What is the InChIKey of 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is CTZAUAJPMZEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10-6-11(2)15(12(3)7-10)13-8-14(24-19-13)16(21)20-17(22)23-9-18(20,4)5/h6-7,14H,8-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 330.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10172057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).