3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine

C10H17N3O3S — CID 53146655

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESCCS(=O)(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C10H17N3O3S/c1-2-17(14,15)13-5-3-8(4-6-13)9-7-10(11)16-12-9/h7-8H,2-6,11H2,1H3
InChIKeyDVRXADFUKXQYKJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.79
Rot. Bonds3

About 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine

3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (PubChem CID 53146655) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
PubChem CID53146655
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESCCS(=O)(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C10H17N3O3S/c1-2-17(14,15)13-5-3-8(4-6-13)9-7-10(11)16-12-9/h7-8H,2-6,11H2,1H3
InChIKeyDVRXADFUKXQYKJ-UHFFFAOYSA-N
XLogP0.79
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (CID 53146655) is 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is CCS(=O)(=O)N1CCC(c2cc(N)on2)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The InChIKey is DVRXADFUKXQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-17(14,15)13-5-3-8(4-6-13)9-7-10(11)16-12-9/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 53146655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).