(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

C13H19N3O2 — CID 53195176

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nc(C)oc2C)CC1
InChIInChI=1S/C13H19N3O2/c1-4-5-15-6-8-16(9-7-15)13(17)12-10(2)18-11(3)14-12/h4H,1,5-9H2,2-3H3
InChIKeyHPQYKYHLYVVQJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.24
Rot. Bonds3

About (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 53195176) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID53195176
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2nc(C)oc2C)CC1
InChIInChI=1S/C13H19N3O2/c1-4-5-15-6-8-16(9-7-15)13(17)12-10(2)18-11(3)14-12/h4H,1,5-9H2,2-3H3
InChIKeyHPQYKYHLYVVQJS-UHFFFAOYSA-N
XLogP1.24
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CID 53195176) is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2nc(C)oc2C)CC1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is HPQYKYHLYVVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-5-15-6-8-16(9-7-15)13(17)12-10(2)18-11(3)14-12/h4H,1,5-9H2,2-3H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 53195176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).