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

C16H21N3O2 — CID 53017000

IUPAC(4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCCN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-18-8-10-19(11-9-18)16(20)15-12-14(17-21-15)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyOGJHZRQPMLSIBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.34
Rot. Bonds3

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

(4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 53017000) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID53017000
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCCN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-18-8-10-19(11-9-18)16(20)15-12-14(17-21-15)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyOGJHZRQPMLSIBH-UHFFFAOYSA-N
XLogP1.34
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 53017000) is (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is CCN1CCN(C(=O)C2CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is OGJHZRQPMLSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-18-8-10-19(11-9-18)16(20)15-12-14(17-21-15)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
(4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 53017000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).