3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

C14H25N3O — CID 64938538

IUPAC3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCCC1CNC(C(C)C)CN1Cc1cc(C)on1
InChIInChI=1S/C14H25N3O/c1-5-13-7-15-14(10(2)3)9-17(13)8-12-6-11(4)18-16-12/h6,10,13-15H,5,7-9H2,1-4H3
InChIKeyAPTFYSLNTKKCIN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds4

About 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 64938538) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID64938538
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCCC1CNC(C(C)C)CN1Cc1cc(C)on1
InChIInChI=1S/C14H25N3O/c1-5-13-7-15-14(10(2)3)9-17(13)8-12-6-11(4)18-16-12/h6,10,13-15H,5,7-9H2,1-4H3
InChIKeyAPTFYSLNTKKCIN-UHFFFAOYSA-N
XLogP2.19
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 64938538) is 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is CCC1CNC(C(C)C)CN1Cc1cc(C)on1.
What is the InChIKey of 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is APTFYSLNTKKCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-13-7-15-14(10(2)3)9-17(13)8-12-6-11(4)18-16-12/h6,10,13-15H,5,7-9H2,1-4H3.
What are the key properties of 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 64938538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).