[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

C19H20N2O4 — CID 9487746

IUPAC[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)[C@H]3CC=CCC3)on2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)16-11-18(25-21-16)20-17(22)12-24-19(23)15-5-3-2-4-6-15/h2-3,7-11,15H,4-6,12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyINHQDKWPUGKUSZ-HNNXBMFYSA-N
MW340.38 g/mol
LogP3.49
Rot. Bonds5

About [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 9487746) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID9487746
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)[C@H]3CC=CCC3)on2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)16-11-18(25-21-16)20-17(22)12-24-19(23)15-5-3-2-4-6-15/h2-3,7-11,15H,4-6,12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyINHQDKWPUGKUSZ-HNNXBMFYSA-N
XLogP3.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932127
[2-(2,4-dimethylanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7948972
ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 9346811
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672918
[2-(4-bromo-3-methylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932624
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932197
[2-oxo-2-(4-propan-2-ylanilino)ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932591
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7517793
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932109
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (CID 9487746) is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is Cc1ccc(-c2cc(NC(=O)COC(=O)[C@H]3CC=CCC3)on2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is INHQDKWPUGKUSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)16-11-18(25-21-16)20-17(22)12-24-19(23)15-5-3-2-4-6-15/h2-3,7-11,15H,4-6,12H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 9487746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).