[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C19H23NO4 — CID 51874762

IUPAC[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2c(C)noc2C)cc1C
InChIInChI=1S/C19H23NO4/c1-10-7-12(3)16(8-11(10)2)19(22)15(6)23-18(21)9-17-13(4)20-24-14(17)5/h7-8,15H,9H2,1-6H3/t15-/m0/s1
InChIKeyZWVFRWOIHSMZJI-HNNXBMFYSA-N
MW329.40 g/mol
LogP3.57
Rot. Bonds5

About [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 51874762) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID51874762
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2c(C)noc2C)cc1C
InChIInChI=1S/C19H23NO4/c1-10-7-12(3)16(8-11(10)2)19(22)15(6)23-18(21)9-17-13(4)20-24-14(17)5/h7-8,15H,9H2,1-6H3/t15-/m0/s1
InChIKeyZWVFRWOIHSMZJI-HNNXBMFYSA-N
XLogP3.57
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate with MolForge

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Related Compounds

[(2R)-3-oxopentan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 94870790
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771032
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 42978887
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 43034437
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011572
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549665
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 42969066
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 43015363
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylate
CID 96996333

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 51874762) is [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2c(C)noc2C)cc1C.
What is the InChIKey of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is ZWVFRWOIHSMZJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-10-7-12(3)16(8-11(10)2)19(22)15(6)23-18(21)9-17-13(4)20-24-14(17)5/h7-8,15H,9H2,1-6H3/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 329.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 51874762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).