1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine

C11H20N4O — CID 57279465

IUPAC1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine
SMILESC=CCN1CCN(C2=NCC(C)O2)C(N)C1
InChIInChI=1S/C11H20N4O/c1-3-4-14-5-6-15(10(12)8-14)11-13-7-9(2)16-11/h3,9-10H,1,4-8,12H2,2H3
InChIKeyJOVRLCLRGFAXEM-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.15
Rot. Bonds2

About 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine

1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine (PubChem CID 57279465) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine
PubChem CID57279465
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine
SMILESC=CCN1CCN(C2=NCC(C)O2)C(N)C1
InChIInChI=1S/C11H20N4O/c1-3-4-14-5-6-15(10(12)8-14)11-13-7-9(2)16-11/h3,9-10H,1,4-8,12H2,2H3
InChIKeyJOVRLCLRGFAXEM-UHFFFAOYSA-N
XLogP-0.15
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine (CID 57279465) is 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine is C=CCN1CCN(C2=NCC(C)O2)C(N)C1.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine?
The InChIKey is JOVRLCLRGFAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-14-5-6-15(10(12)8-14)11-13-7-9(2)16-11/h3,9-10H,1,4-8,12H2,2H3.
What are the key properties of 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine?
1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine has a molecular weight of 224.31 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-4-prop-2-enylpiperazin-2-amine is sourced from PubChem (CID 57279465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).