(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C14H16N4O2 — CID 1245842

IUPAC(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3
InChIKeyMPWPLCNNPCTRLL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.34
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1245842) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1245842
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3
InChIKeyMPWPLCNNPCTRLL-UHFFFAOYSA-N
XLogP1.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1245842) is (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MPWPLCNNPCTRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-10-12(16-20-11)14(19)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1245842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).