ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate

C20H25N3O4 — CID 9346811

IUPACethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C20H25N3O4/c1-3-26-20(25)16-5-4-10-23(12-16)13-18(24)21-19-11-17(22-27-19)15-8-6-14(2)7-9-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyXRQWRGYGLWXOML-INIZCTEOSA-N
MW371.44 g/mol
LogP2.86
Rot. Bonds6

About ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 9346811) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID9346811
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C20H25N3O4/c1-3-26-20(25)16-5-4-10-23(12-16)13-18(24)21-19-11-17(22-27-19)15-8-6-14(2)7-9-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyXRQWRGYGLWXOML-INIZCTEOSA-N
XLogP2.86
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 9487746
ethyl (3R)-1-[2-(3-methylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8561487
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (CID 9346811) is ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is XRQWRGYGLWXOML-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-26-20(25)16-5-4-10-23(12-16)13-18(24)21-19-11-17(22-27-19)15-8-6-14(2)7-9-15/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 9346811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).