1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate

C17H23N5O3 — CID 55998179

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCCCc1noc(C(C)OC(=O)C2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H23N5O3/c1-3-5-14-20-15(25-21-14)12(2)24-16(23)13-6-10-22(11-7-13)17-18-8-4-9-19-17/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3
InChIKeyQQICGYUVYFVRGR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.33
Rot. Bonds6

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate (PubChem CID 55998179) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
PubChem CID55998179
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
SMILESCCCc1noc(C(C)OC(=O)C2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H23N5O3/c1-3-5-14-20-15(25-21-14)12(2)24-16(23)13-6-10-22(11-7-13)17-18-8-4-9-19-17/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3
InChIKeyQQICGYUVYFVRGR-UHFFFAOYSA-N
XLogP2.33
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate (CID 55998179) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate is CCCc1noc(C(C)OC(=O)C2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
The InChIKey is QQICGYUVYFVRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-5-14-20-15(25-21-14)12(2)24-16(23)13-6-10-22(11-7-13)17-18-8-4-9-19-17/h4,8-9,12-13H,3,5-7,10-11H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate?
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 55998179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).