(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone

C15H19N3O2 — CID 24712167

IUPAC(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C15H19N3O2/c1-17-7-9-18(10-8-17)15(19)14-11-13(16-20-14)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyRHHSZIINTDPSJU-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.95
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 24712167) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID24712167
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C15H19N3O2/c1-17-7-9-18(10-8-17)15(19)14-11-13(16-20-14)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyRHHSZIINTDPSJU-UHFFFAOYSA-N
XLogP0.95
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 24712167) is (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is CN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is RHHSZIINTDPSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-9-18(10-8-17)15(19)14-11-13(16-20-14)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 24712167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).