methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate

C19H29N3O4 — CID 26743060

IUPACmethyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1
InChIInChI=1S/C19H29N3O4/c1-25-19(24)17-11-16(22-26-17)9-14-12-20-8-7-13(14)10-18(23)21-15-5-3-2-4-6-15/h11,13-15,20H,2-10,12H2,1H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyTUFSTARUXYLCBQ-KBPBESRZSA-N
MW363.46 g/mol
LogP2.07
Rot. Bonds6

About methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate

methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate (PubChem CID 26743060) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
PubChem CID26743060
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namemethyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1
InChIInChI=1S/C19H29N3O4/c1-25-19(24)17-11-16(22-26-17)9-14-12-20-8-7-13(14)10-18(23)21-15-5-3-2-4-6-15/h11,13-15,20H,2-10,12H2,1H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyTUFSTARUXYLCBQ-KBPBESRZSA-N
XLogP2.07
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-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-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26743248
2-[3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 74506282
methyl 3-[[(3R,4R)-4-[2-(diethylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 163046715
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796842
N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796833
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26742965
N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 163168593
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162796815
3-[[(3R,4S)-4-[2-(3-hydroxyanilino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 26742586
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796751
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate (CID 26743060) is methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate is COC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1.
What is the InChIKey of methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate?
The InChIKey is TUFSTARUXYLCBQ-KBPBESRZSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-19(24)17-11-16(22-26-17)9-14-12-20-8-7-13(14)10-18(23)21-15-5-3-2-4-6-15/h11,13-15,20H,2-10,12H2,1H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate?
methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 26743060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).