ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate

C20H24N2O4 — CID 42452355

IUPACethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C20H24N2O4/c1-2-25-20(24)17-10-6-7-13-22(17)19(23)18-14-16(21-26-18)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3/t17-/m0/s1
InChIKeyOORBLWTWWYGZDN-KRWDZBQOSA-N
MW356.42 g/mol
LogP3.02
Rot. Bonds6

About ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate

ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate (PubChem CID 42452355) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate
PubChem CID42452355
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C20H24N2O4/c1-2-25-20(24)17-10-6-7-13-22(17)19(23)18-14-16(21-26-18)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3/t17-/m0/s1
InChIKeyOORBLWTWWYGZDN-KRWDZBQOSA-N
XLogP3.02
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate (CID 42452355) is ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)no1.
What is the InChIKey of ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate?
The InChIKey is OORBLWTWWYGZDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-25-20(24)17-10-6-7-13-22(17)19(23)18-14-16(21-26-18)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,17H,2,6-7,10-13H2,1H3/t17-/m0/s1.
What are the key properties of ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate?
ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[3-(2-phenylethyl)-1,2-oxazole-5-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 42452355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).