[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C14H18N4O3 — CID 56686230

IUPAC[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCc1noc(C2CCCCN2C(=O)c2cc(C)on2)n1
InChIInChI=1S/C14H18N4O3/c1-3-12-15-13(21-17-12)11-6-4-5-7-18(11)14(19)10-8-9(2)20-16-10/h8,11H,3-7H2,1-2H3
InChIKeyOFLLMHGUODDIBK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.30
Rot. Bonds3

About [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 56686230) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID56686230
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCc1noc(C2CCCCN2C(=O)c2cc(C)on2)n1
InChIInChI=1S/C14H18N4O3/c1-3-12-15-13(21-17-12)11-6-4-5-7-18(11)14(19)10-8-9(2)20-16-10/h8,11H,3-7H2,1-2H3
InChIKeyOFLLMHGUODDIBK-UHFFFAOYSA-N
XLogP2.30
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 56686230) is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is CCc1noc(C2CCCCN2C(=O)c2cc(C)on2)n1.
What is the InChIKey of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OFLLMHGUODDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-12-15-13(21-17-12)11-6-4-5-7-18(11)14(19)10-8-9(2)20-16-10/h8,11H,3-7H2,1-2H3.
What are the key properties of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56686230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).