5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole

C12H19N3O — CID 106421827

IUPAC5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC1CNC(C2CC2)CN1Cc1ccno1
InChIInChI=1S/C12H19N3O/c1-9-6-13-12(10-2-3-10)8-15(9)7-11-4-5-14-16-11/h4-5,9-10,12-13H,2-3,6-8H2,1H3
InChIKeyZUZGQYLKGHESCK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.25
Rot. Bonds3

About 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole

5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 106421827) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID106421827
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC1CNC(C2CC2)CN1Cc1ccno1
InChIInChI=1S/C12H19N3O/c1-9-6-13-12(10-2-3-10)8-15(9)7-11-4-5-14-16-11/h4-5,9-10,12-13H,2-3,6-8H2,1H3
InChIKeyZUZGQYLKGHESCK-UHFFFAOYSA-N
XLogP1.25
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole (CID 106421827) is 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole is CC1CNC(C2CC2)CN1Cc1ccno1.
What is the InChIKey of 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is ZUZGQYLKGHESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-13-12(10-2-3-10)8-15(9)7-11-4-5-14-16-11/h4-5,9-10,12-13H,2-3,6-8H2,1H3.
What are the key properties of 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 221.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 106421827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).