3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole

C13H14N8O — CID 167924789

IUPAC3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
SMILESc1cnc(N2CCN(c3n[nH]c(-c4ccon4)n3)CC2)nc1
InChIInChI=1S/C13H14N8O/c1-3-14-12(15-4-1)20-5-7-21(8-6-20)13-16-11(17-18-13)10-2-9-22-19-10/h1-4,9H,5-8H2,(H,16,17,18)
InChIKeyQUGFOLYUNZTAJY-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.58
Rot. Bonds3

About 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole

3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole (PubChem CID 167924789) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
PubChem CID167924789
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
SMILESc1cnc(N2CCN(c3n[nH]c(-c4ccon4)n3)CC2)nc1
InChIInChI=1S/C13H14N8O/c1-3-14-12(15-4-1)20-5-7-21(8-6-20)13-16-11(17-18-13)10-2-9-22-19-10/h1-4,9H,5-8H2,(H,16,17,18)
InChIKeyQUGFOLYUNZTAJY-UHFFFAOYSA-N
XLogP0.58
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole with MolForge

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Related Compounds

1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793159
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
CID 167968344
3-oxa-2,7,8-triazabicyclo[4.2.0]octa-1,4,6-triene
CID 54735809
1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792961
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800753
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798204
4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide
CID 166235026
N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932983
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole (CID 167924789) is 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole is c1cnc(N2CCN(c3n[nH]c(-c4ccon4)n3)CC2)nc1.
What is the InChIKey of 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The InChIKey is QUGFOLYUNZTAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c1-3-14-12(15-4-1)20-5-7-21(8-6-20)13-16-11(17-18-13)10-2-9-22-19-10/h1-4,9H,5-8H2,(H,16,17,18).
What are the key properties of 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole has a molecular weight of 298.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 167924789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).