4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C22H35N5O — CID 133367967

IUPAC4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C22H35N5O/c1-15-17(16(2)28-25-15)14-26-9-11-27(12-10-26)19-13-18(21(3,4)5)23-20(24-19)22(6,7)8/h13H,9-12,14H2,1-8H3
InChIKeyYTQONZXWXVQACT-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.00
Rot. Bonds3

About 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 133367967) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID133367967
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C22H35N5O/c1-15-17(16(2)28-25-15)14-26-9-11-27(12-10-26)19-13-18(21(3,4)5)23-20(24-19)22(6,7)8/h13H,9-12,14H2,1-8H3
InChIKeyYTQONZXWXVQACT-UHFFFAOYSA-N
XLogP4.00
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133367815
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-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 163356745
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
3,5-dimethyl-4-[[4-(6-nitroquinolin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133277799
N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 122156220
4-[[4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 75496905
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 136519023
4-[[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 155980598
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
2,4-ditert-butyl-6-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 11670223
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 133367967) is 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YTQONZXWXVQACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-15-17(16(2)28-25-15)14-26-9-11-27(12-10-26)19-13-18(21(3,4)5)23-20(24-19)22(6,7)8/h13H,9-12,14H2,1-8H3.
What are the key properties of 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 385.56 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 133367967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).