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

C18H28N4O2 — CID 86803754

IUPAC4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCC1CN(Cc2cnoc2C)C(CC)CN1Cc1cnoc1C
InChIInChI=1S/C18H28N4O2/c1-5-17-11-22(10-16-8-20-24-14(16)4)18(6-2)12-21(17)9-15-7-19-23-13(15)3/h7-8,17-18H,5-6,9-12H2,1-4H3
InChIKeyDTTDSDIJAHKJBL-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds6

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

4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 86803754) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID86803754
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCC1CN(Cc2cnoc2C)C(CC)CN1Cc1cnoc1C
InChIInChI=1S/C18H28N4O2/c1-5-17-11-22(10-16-8-20-24-14(16)4)18(6-2)12-21(17)9-15-7-19-23-13(15)3/h7-8,17-18H,5-6,9-12H2,1-4H3
InChIKeyDTTDSDIJAHKJBL-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 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 86803754) is 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is CCC1CN(Cc2cnoc2C)C(CC)CN1Cc1cnoc1C.
What is the InChIKey of 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is DTTDSDIJAHKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-17-11-22(10-16-8-20-24-14(16)4)18(6-2)12-21(17)9-15-7-19-23-13(15)3/h7-8,17-18H,5-6,9-12H2,1-4H3.
What are the key properties of 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-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 4-[[2,5-diethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 86803754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).