3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

C11H15N5O3S — CID 72898476

IUPAC3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(S(C)(=O)=O)CC3)c12
InChIInChI=1S/C11H15N5O3S/c1-8-9-10(12-7-13-11(9)19-14-8)15-3-5-16(6-4-15)20(2,17)18/h7H,3-6H2,1-2H3
InChIKeyKHAVOKSYWYQURY-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.01
Rot. Bonds2

About 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 72898476) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID72898476
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCN(S(C)(=O)=O)CC3)c12
InChIInChI=1S/C11H15N5O3S/c1-8-9-10(12-7-13-11(9)19-14-8)15-3-5-16(6-4-15)20(2,17)18/h7H,3-6H2,1-2H3
InChIKeyKHAVOKSYWYQURY-UHFFFAOYSA-N
XLogP0.01
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 102563909
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
(3aR,7aS)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 63276797
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 63903342
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 72898476) is 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCN(S(C)(=O)=O)CC3)c12.
What is the InChIKey of 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is KHAVOKSYWYQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-8-9-10(12-7-13-11(9)19-14-8)15-3-5-16(6-4-15)20(2,17)18/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 297.34 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 72898476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).