(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone

C12H19N3O2 — CID 21061605

IUPAC(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-8-6-14(7-9-15)11(16)10-4-5-13-17-10/h4-5H,6-9H2,1-3H3
InChIKeyPTAJGXSEMMJNND-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone

(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone (PubChem CID 21061605) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone
PubChem CID21061605
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-8-6-14(7-9-15)11(16)10-4-5-13-17-10/h4-5H,6-9H2,1-3H3
InChIKeyPTAJGXSEMMJNND-UHFFFAOYSA-N
XLogP1.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone (CID 21061605) is (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone is CC(C)(C)N1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone?
The InChIKey is PTAJGXSEMMJNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15-8-6-14(7-9-15)11(16)10-4-5-13-17-10/h4-5H,6-9H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 21061605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).