propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate

C18H25N5O3 — CID 133470363

IUPACpropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyLWEAXDPJJSYDLL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.22
Rot. Bonds5

About propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 133470363) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID133470363
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Namepropan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyLWEAXDPJJSYDLL-UHFFFAOYSA-N
XLogP2.22
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate (CID 133470363) is propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate is Cc1noc(C(C)N2CCN(c3ncccc3C(=O)OC(C)C)CC2)n1.
What is the InChIKey of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is LWEAXDPJJSYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)25-18(24)15-6-5-7-19-16(15)23-10-8-22(9-11-23)13(3)17-20-14(4)21-26-17/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133470363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).