2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

C18H28N4O2 — CID 71868964

IUPAC2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCC1CN(Cc2ncc(C)o2)C(CC)CN1Cc1ncc(C)o1
InChIInChI=1S/C18H28N4O2/c1-5-15-9-22(12-18-20-8-14(4)24-18)16(6-2)10-21(15)11-17-19-7-13(3)23-17/h7-8,15-16H,5-6,9-12H2,1-4H3
InChIKeyKWVTZIIITBEWDV-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds6

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

2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 71868964) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID71868964
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCC1CN(Cc2ncc(C)o2)C(CC)CN1Cc1ncc(C)o1
InChIInChI=1S/C18H28N4O2/c1-5-15-9-22(12-18-20-8-14(4)24-18)16(6-2)10-21(15)11-17-19-7-13(3)23-17/h7-8,15-16H,5-6,9-12H2,1-4H3
InChIKeyKWVTZIIITBEWDV-UHFFFAOYSA-N
XLogP3.15
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 71868964) is 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is CCC1CN(Cc2ncc(C)o2)C(CC)CN1Cc1ncc(C)o1.
What is the InChIKey of 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is KWVTZIIITBEWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-15-9-22(12-18-20-8-14(4)24-18)16(6-2)10-21(15)11-17-19-7-13(3)23-17/h7-8,15-16H,5-6,9-12H2,1-4H3.
What are the key properties of 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 332.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-diethyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 71868964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).