3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole

C14H23N3O4S — CID 75461225

IUPAC3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H23N3O4S/c1-11-14(12(2)21-15-11)22(18,19)17-6-4-16(5-7-17)9-13-3-8-20-10-13/h13H,3-10H2,1-2H3
InChIKeyALSZUMQGOGKWLE-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.63
Rot. Bonds4

About 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 75461225) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
PubChem CID75461225
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H23N3O4S/c1-11-14(12(2)21-15-11)22(18,19)17-6-4-16(5-7-17)9-13-3-8-20-10-13/h13H,3-10H2,1-2H3
InChIKeyALSZUMQGOGKWLE-UHFFFAOYSA-N
XLogP0.63
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
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1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
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[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119694698
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
CID 26431718
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole (CID 75461225) is 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is ALSZUMQGOGKWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11-14(12(2)21-15-11)22(18,19)17-6-4-16(5-7-17)9-13-3-8-20-10-13/h13H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 329.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 75461225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).