methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate

C14H17N3O3S — CID 81470168

IUPACmethyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3O3S/c1-19-14(18)11-4-2-3-6-17(11)8-12-15-13(20-16-12)10-5-7-21-9-10/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m1/s1
InChIKeyPYFMQELGBVKQNR-LLVKDONJSA-N
MW307.37 g/mol
LogP2.33
Rot. Bonds4

About methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate (PubChem CID 81470168) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
PubChem CID81470168
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Namemethyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3O3S/c1-19-14(18)11-4-2-3-6-17(11)8-12-15-13(20-16-12)10-5-7-21-9-10/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m1/s1
InChIKeyPYFMQELGBVKQNR-LLVKDONJSA-N
XLogP2.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate (CID 81470168) is methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1noc(-c2ccsc2)n1.
What is the InChIKey of methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate?
The InChIKey is PYFMQELGBVKQNR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-14(18)11-4-2-3-6-17(11)8-12-15-13(20-16-12)10-5-7-21-9-10/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 81470168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).