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

C17H20N2O4 — CID 611827

IUPAC3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NOC(C)C2C(=O)N2CCOC2=O)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)23-18-15)16(20)19-5-6-22-17(19)21/h7-8,12,14H,5-6H2,1-4H3
InChIKeyPCCBKHJPWPJVIW-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds2

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

3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 611827) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
PubChem CID611827
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NOC(C)C2C(=O)N2CCOC2=O)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)23-18-15)16(20)19-5-6-22-17(19)21/h7-8,12,14H,5-6H2,1-4H3
InChIKeyPCCBKHJPWPJVIW-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

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

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Related Compounds

Oxazoliden-2-one, N-[(3-mesityl-4-methyl-2-isoxazoline)-5-carbonyl]-, (E)-
CID 608760
tert-butyl (3R,5S)-3-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176902
tert-butyl (3R,5S)-3-[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176917
tert-butyl (3S,5S)-3-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 139247494
(4S)-4-benzyl-3-[(4S,5R)-5-ethyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 25148731
(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-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10172056
4,4-Dimethyl-3-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10172057
4,4-Dimethyl-3-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10286324
3-[3-(2,4,6-Trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10308436

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (CID 611827) is 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C2=NOC(C)C2C(=O)N2CCOC2=O)c(C)c1.
What is the InChIKey of 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is PCCBKHJPWPJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)23-18-15)16(20)19-5-6-22-17(19)21/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
3-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-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-[5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 611827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).