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

C18H28N4OS — CID 75496905

IUPAC4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(Cc2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H28N4OS/c1-13-16(14(2)23-20-13)12-22-8-6-21(7-9-22)11-15-10-19-17(24-15)18(3,4)5/h10H,6-9,11-12H2,1-5H3
InChIKeyXTZAJSPJKFPJQB-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.36
Rot. Bonds4

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

4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 75496905) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID75496905
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(Cc2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H28N4OS/c1-13-16(14(2)23-20-13)12-22-8-6-21(7-9-22)11-15-10-19-17(24-15)18(3,4)5/h10H,6-9,11-12H2,1-5H3
InChIKeyXTZAJSPJKFPJQB-UHFFFAOYSA-N
XLogP3.36
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]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

Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
4-[[4-(4-tert-butyl-1,3-oxazol-2-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 154786519
3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 133367967
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 134076251
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 75496905) is 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCN(Cc2cnc(C(C)(C)C)s2)CC1.
What is the InChIKey of 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XTZAJSPJKFPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-13-16(14(2)23-20-13)12-22-8-6-21(7-9-22)11-15-10-19-17(24-15)18(3,4)5/h10H,6-9,11-12H2,1-5H3.
What are the key properties of 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 348.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 75496905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).