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

C17H20N2O4 — CID 608760

IUPAC3-[4-methyl-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)N3CCOC3=O)C2C)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)14-12(4)15(23-18-14)16(20)19-5-6-22-17(19)21/h7-8,12,15H,5-6H2,1-4H3
InChIKeyRDLMHAHUIRCEAD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds2

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

3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 608760) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID608760
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[4-methyl-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)N3CCOC3=O)C2C)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)14-12(4)15(23-18-14)16(20)19-5-6-22-17(19)21/h7-8,12,15H,5-6H2,1-4H3
InChIKeyRDLMHAHUIRCEAD-UHFFFAOYSA-N
XLogP2.33
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10171601
(4S)-4-benzyl-3-[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537175
[(3S)-3-methylpyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 90192125
(4S)-4-benzyl-3-[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911581
(4S)-4-benzyl-3-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911622
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
3-[3-(4-Fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
3-[3-(4-Fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985381
(4S)-4-benzyl-3-[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537174
(4S)-4-benzyl-3-[(4S,5S)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 25148647
[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

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 608760) is 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-methyl-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)N3CCOC3=O)C2C)c(C)c1.
What is the InChIKey of 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is RDLMHAHUIRCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)14-12(4)15(23-18-14)16(20)19-5-6-22-17(19)21/h7-8,12,15H,5-6H2,1-4H3.
What are the key properties of 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 608760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).