methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate

C11H16N2O3 — CID 79046872

IUPACmethyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2ccno2)C1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)9-3-2-6-13(7-9)8-10-4-5-12-16-10/h4-5,9H,2-3,6-8H2,1H3/t9-/m0/s1
InChIKeyDHVNRYCNXBVXNA-VIFPVBQESA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds3

About methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate

methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate (PubChem CID 79046872) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
PubChem CID79046872
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(Cc2ccno2)C1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)9-3-2-6-13(7-9)8-10-4-5-12-16-10/h4-5,9H,2-3,6-8H2,1H3/t9-/m0/s1
InChIKeyDHVNRYCNXBVXNA-VIFPVBQESA-N
XLogP1.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 96567281
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
methyl 1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673422
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate (CID 79046872) is methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(Cc2ccno2)C1.
What is the InChIKey of methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate?
The InChIKey is DHVNRYCNXBVXNA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-11(14)9-3-2-6-13(7-9)8-10-4-5-12-16-10/h4-5,9H,2-3,6-8H2,1H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate?
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 79046872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).