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

C21H33N5O — CID 133367815

IUPAC5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)on1
InChIInChI=1S/C21H33N5O/c1-15-12-16(27-24-15)14-25-8-10-26(11-9-25)18-13-17(20(2,3)4)22-19(23-18)21(5,6)7/h12-13H,8-11,14H2,1-7H3
InChIKeyDYZUCMMJBRIQMY-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.69
Rot. Bonds3

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

5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 133367815) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID133367815
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)on1
InChIInChI=1S/C21H33N5O/c1-15-12-16(27-24-15)14-25-8-10-26(11-9-25)18-13-17(20(2,3)4)22-19(23-18)21(5,6)7/h12-13H,8-11,14H2,1-7H3
InChIKeyDYZUCMMJBRIQMY-UHFFFAOYSA-N
XLogP3.69
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 133367967
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882516
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 95309121
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133436401
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133344656
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
2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-methylpyrimidine
CID 22349874
[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133400610

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 133367815) is 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)on1.
What is the InChIKey of 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is DYZUCMMJBRIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-15-12-16(27-24-15)14-25-8-10-26(11-9-25)18-13-17(20(2,3)4)22-19(23-18)21(5,6)7/h12-13H,8-11,14H2,1-7H3.
What are the key properties of 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 371.53 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 133367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).