(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C15H19N3O2S — CID 124992269

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)on1
InChIInChI=1S/C15H19N3O2S/c1-10(2)12-8-13(20-17-12)15(19)18-6-3-4-11(9-18)14-16-5-7-21-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1
InChIKeyPPINLLXOMFWORY-LLVKDONJSA-N
MW305.40 g/mol
LogP3.27
Rot. Bonds3

About (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124992269) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID124992269
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)on1
InChIInChI=1S/C15H19N3O2S/c1-10(2)12-8-13(20-17-12)15(19)18-6-3-4-11(9-18)14-16-5-7-21-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1
InChIKeyPPINLLXOMFWORY-LLVKDONJSA-N
XLogP3.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 124992269) is (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)on1.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PPINLLXOMFWORY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)12-8-13(20-17-12)15(19)18-6-3-4-11(9-18)14-16-5-7-21-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124992269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).