1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

C21H24N6O2 — CID 95803550

IUPAC1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCc1onc(C)c1-c1nc(N2CCN(C(C)=O)CC2)ncc1-c1ccncc1
InChIInChI=1S/C21H24N6O2/c1-4-18-19(14(2)25-29-18)20-17(16-5-7-22-8-6-16)13-23-21(24-20)27-11-9-26(10-12-27)15(3)28/h5-8,13H,4,9-12H2,1-3H3
InChIKeyICKGCTFSJNFWMW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 95803550) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID95803550
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCc1onc(C)c1-c1nc(N2CCN(C(C)=O)CC2)ncc1-c1ccncc1
InChIInChI=1S/C21H24N6O2/c1-4-18-19(14(2)25-29-18)20-17(16-5-7-22-8-6-16)13-23-21(24-20)27-11-9-26(10-12-27)15(3)28/h5-8,13H,4,9-12H2,1-3H3
InChIKeyICKGCTFSJNFWMW-UHFFFAOYSA-N
XLogP2.73
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 95803550) is 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is CCc1onc(C)c1-c1nc(N2CCN(C(C)=O)CC2)ncc1-c1ccncc1.
What is the InChIKey of 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is ICKGCTFSJNFWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-4-18-19(14(2)25-29-18)20-17(16-5-7-22-8-6-16)13-23-21(24-20)27-11-9-26(10-12-27)15(3)28/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95803550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).