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

C12H21N3O3S — CID 53146659

IUPAC3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESCCCCS(=O)(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C12H21N3O3S/c1-2-3-8-19(16,17)15-6-4-10(5-7-15)11-9-12(13)18-14-11/h9-10H,2-8,13H2,1H3
InChIKeyUKTHZYYRCKRUOS-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.57
Rot. Bonds5

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

3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (PubChem CID 53146659) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
PubChem CID53146659
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine
SMILESCCCCS(=O)(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C12H21N3O3S/c1-2-3-8-19(16,17)15-6-4-10(5-7-15)11-9-12(13)18-14-11/h9-10H,2-8,13H2,1H3
InChIKeyUKTHZYYRCKRUOS-UHFFFAOYSA-N
XLogP1.57
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine (CID 53146659) is 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is CCCCS(=O)(=O)N1CCC(c2cc(N)on2)CC1.
What is the InChIKey of 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
The InChIKey is UKTHZYYRCKRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-3-8-19(16,17)15-6-4-10(5-7-15)11-9-12(13)18-14-11/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine?
3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine has a molecular weight of 287.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylsulfonylpiperidin-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 53146659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).