4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

C17H25N5O — CID 50981225

IUPAC4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCCc1cnc(N2CCN(Cc3coc(C(C)C)n3)CC2)nc1
InChIInChI=1S/C17H25N5O/c1-4-14-9-18-17(19-10-14)22-7-5-21(6-8-22)11-15-12-23-16(20-15)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyFQLMRJROQXJYEY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.47
Rot. Bonds5

About 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole

4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 50981225) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID50981225
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCCc1cnc(N2CCN(Cc3coc(C(C)C)n3)CC2)nc1
InChIInChI=1S/C17H25N5O/c1-4-14-9-18-17(19-10-14)22-7-5-21(6-8-22)11-15-12-23-16(20-15)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyFQLMRJROQXJYEY-UHFFFAOYSA-N
XLogP2.47
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 45210963
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CID 58646249
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CID 70917843
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CID 118066474
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CID 175387628
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CID 176625723
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CID 3850350
CID 3850350

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (CID 50981225) is 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is CCc1cnc(N2CCN(Cc3coc(C(C)C)n3)CC2)nc1.
What is the InChIKey of 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is FQLMRJROQXJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-14-9-18-17(19-10-14)22-7-5-21(6-8-22)11-15-12-23-16(20-15)13(2)3/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 315.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 50981225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).