ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate

C14H19N5O3 — CID 167869095

IUPACethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(N2CCC(c3cncn3C)CC2)o1
InChIInChI=1S/C14H19N5O3/c1-3-21-13(20)12-16-17-14(22-12)19-6-4-10(5-7-19)11-8-15-9-18(11)2/h8-10H,3-7H2,1-2H3
InChIKeyDNZOSYOOWBUEMJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.36
Rot. Bonds4

About ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 167869095) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID167869095
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nameethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(N2CCC(c3cncn3C)CC2)o1
InChIInChI=1S/C14H19N5O3/c1-3-21-13(20)12-16-17-14(22-12)19-6-4-10(5-7-19)11-8-15-9-18(11)2/h8-10H,3-7H2,1-2H3
InChIKeyDNZOSYOOWBUEMJ-UHFFFAOYSA-N
XLogP1.36
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate (CID 167869095) is ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(N2CCC(c3cncn3C)CC2)o1.
What is the InChIKey of ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is DNZOSYOOWBUEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-21-13(20)12-16-17-14(22-12)19-6-4-10(5-7-19)11-8-15-9-18(11)2/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 167869095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).