[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate

C23H26N4O3 — CID 11327227

IUPAC[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4ccno4)CC3)cc2)nc1
InChIInChI=1S/C23H26N4O3/c1-18-2-5-20(24-17-18)16-19-3-6-21(7-4-19)29-23(28)27-14-12-26(13-15-27)11-9-22-8-10-25-30-22/h2-8,10,17H,9,11-16H2,1H3
InChIKeyZPJZCXGGFBAYGL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.33
Rot. Bonds6

About [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate

[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate (PubChem CID 11327227) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate
PubChem CID11327227
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4ccno4)CC3)cc2)nc1
InChIInChI=1S/C23H26N4O3/c1-18-2-5-20(24-17-18)16-19-3-6-21(7-4-19)29-23(28)27-14-12-26(13-15-27)11-9-22-8-10-25-30-22/h2-8,10,17H,9,11-16H2,1H3
InChIKeyZPJZCXGGFBAYGL-UHFFFAOYSA-N
XLogP3.33
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate (CID 11327227) is [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate is Cc1ccc(Cc2ccc(OC(=O)N3CCN(CCc4ccno4)CC3)cc2)nc1.
What is the InChIKey of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is ZPJZCXGGFBAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-18-2-5-20(24-17-18)16-19-3-6-21(7-4-19)29-23(28)27-14-12-26(13-15-27)11-9-22-8-10-25-30-22/h2-8,10,17H,9,11-16H2,1H3.
What are the key properties of [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate?
[4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-pyridinyl)methyl]phenyl] 4-[2-(1,2-oxazol-5-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 11327227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).