methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate

C10H16N2O3 — CID 105465885

IUPACmethyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C2CCCNC2)=N1
InChIInChI=1S/C10H16N2O3/c1-14-10(13)8-6-15-9(12-8)7-3-2-4-11-5-7/h7-8,11H,2-6H2,1H3
InChIKeyZCBOTUREBMUBRF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.04
Rot. Bonds2

About methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 105465885) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID105465885
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C2CCCNC2)=N1
InChIInChI=1S/C10H16N2O3/c1-14-10(13)8-6-15-9(12-8)7-3-2-4-11-5-7/h7-8,11H,2-6H2,1H3
InChIKeyZCBOTUREBMUBRF-UHFFFAOYSA-N
XLogP-0.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-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

methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 84667112
methyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 22184737
methyl 2-(3-aminopropyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 105442031
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
CID 105463920
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174559778
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
methyl 1,4-diazepane-2-carboxylate
CID 45358161

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 105465885) is methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(C2CCCNC2)=N1.
What is the InChIKey of methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZCBOTUREBMUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-14-10(13)8-6-15-9(12-8)7-3-2-4-11-5-7/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 105465885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).