4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole

C13H22N4O3S — CID 126892300

IUPAC4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole
SMILESCC(C)N1CCN(C2CN(S(=O)(=O)c3cnoc3)C2)CC1
InChIInChI=1S/C13H22N4O3S/c1-11(2)15-3-5-16(6-4-15)12-8-17(9-12)21(18,19)13-7-14-20-10-13/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeySRHIHHAHSNGSBY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.07
Rot. Bonds4

About 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole

4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 126892300) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID126892300
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole
SMILESCC(C)N1CCN(C2CN(S(=O)(=O)c3cnoc3)C2)CC1
InChIInChI=1S/C13H22N4O3S/c1-11(2)15-3-5-16(6-4-15)12-8-17(9-12)21(18,19)13-7-14-20-10-13/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeySRHIHHAHSNGSBY-UHFFFAOYSA-N
XLogP0.07
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole
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2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942181
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
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1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
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5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 79920449
1-methylidene-4-(4-propan-2-ylpiperazin-1-yl)thiane 1-oxide
CID 159752360
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole (CID 126892300) is 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole is CC(C)N1CCN(C2CN(S(=O)(=O)c3cnoc3)C2)CC1.
What is the InChIKey of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is SRHIHHAHSNGSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-11(2)15-3-5-16(6-4-15)12-8-17(9-12)21(18,19)13-7-14-20-10-13/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole?
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 314.41 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 126892300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).