ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate

C21H28N2O3 — CID 42240027

IUPACethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H28N2O3/c1-4-25-20(24)13-17-10-7-8-12-23(17)14-19-16(3)26-21(22-19)18-11-6-5-9-15(18)2/h5-6,9,11,17H,4,7-8,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyKZPJZURULBYNEK-QGZVFWFLSA-N
MW356.47 g/mol
LogP4.27
Rot. Bonds6

About ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate

ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate (PubChem CID 42240027) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
PubChem CID42240027
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nameethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H28N2O3/c1-4-25-20(24)13-17-10-7-8-12-23(17)14-19-16(3)26-21(22-19)18-11-6-5-9-15(18)2/h5-6,9,11,17H,4,7-8,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyKZPJZURULBYNEK-QGZVFWFLSA-N
XLogP4.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 45189467
ethyl 2-[(2S)-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42453482
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 45208474
ethyl 2-[(2R)-1-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42382400
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
(2R)-1-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172088
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
2-(2,3-difluorophenyl)-4-[[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 29181380
ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45195557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate (CID 42240027) is ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate is CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate?
The InChIKey is KZPJZURULBYNEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-25-20(24)13-17-10-7-8-12-23(17)14-19-16(3)26-21(22-19)18-11-6-5-9-15(18)2/h5-6,9,11,17H,4,7-8,10,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate?
ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate has a molecular weight of 356.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 42240027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).