2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole

C23H24N6O — CID 133294868

IUPAC2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCCc1cc(N2CCN(c3nc4cc(C)ccc4o3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H24N6O/c1-3-17-15-21(27-22(25-17)18-6-4-5-9-24-18)28-10-12-29(13-11-28)23-26-19-14-16(2)7-8-20(19)30-23/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyRRORICGCHIHBAO-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.88
Rot. Bonds4

About 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole

2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole (PubChem CID 133294868) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
PubChem CID133294868
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCCc1cc(N2CCN(c3nc4cc(C)ccc4o3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H24N6O/c1-3-17-15-21(27-22(25-17)18-6-4-5-9-24-18)28-10-12-29(13-11-28)23-26-19-14-16(2)7-8-20(19)30-23/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyRRORICGCHIHBAO-UHFFFAOYSA-N
XLogP3.88
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole (CID 133294868) is 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole is CCc1cc(N2CCN(c3nc4cc(C)ccc4o3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is RRORICGCHIHBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-3-17-15-21(27-22(25-17)18-6-4-5-9-24-18)28-10-12-29(13-11-28)23-26-19-14-16(2)7-8-20(19)30-23/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 400.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 133294868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).