4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C17H26N4O2 — CID 154786519

IUPAC4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nc(C(C)(C)C)co2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(13(2)23-19-12)10-20-6-8-21(9-7-20)16-18-15(11-22-16)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyYYRMIIGTQIXIOJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.90
Rot. Bonds3

About 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 154786519) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID154786519
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nc(C(C)(C)C)co2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-14(13(2)23-19-12)10-20-6-8-21(9-7-20)16-18-15(11-22-16)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyYYRMIIGTQIXIOJ-UHFFFAOYSA-N
XLogP2.90
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole 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-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 154786519) is 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCN(c2nc(C(C)(C)C)co2)CC1.
What is the InChIKey of 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YYRMIIGTQIXIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-14(13(2)23-19-12)10-20-6-8-21(9-7-20)16-18-15(11-22-16)17(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 318.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 154786519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).