[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone

C16H20N2O3S — CID 95616069

IUPAC[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1
InChIInChI=1S/C16H20N2O3S/c1-2-8-20-12-5-3-7-18(10-12)16(19)14-15(21-11-17-14)13-6-4-9-22-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3/t12-/m0/s1
InChIKeyLVMXGQJBVAWRKV-LBPRGKRZSA-N
MW320.41 g/mol
LogP3.43
Rot. Bonds5

About [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone

[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 95616069) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID95616069
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1
InChIInChI=1S/C16H20N2O3S/c1-2-8-20-12-5-3-7-18(10-12)16(19)14-15(21-11-17-14)13-6-4-9-22-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3/t12-/m0/s1
InChIKeyLVMXGQJBVAWRKV-LBPRGKRZSA-N
XLogP3.43
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone (CID 95616069) is [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone is CCCO[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1.
What is the InChIKey of [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is LVMXGQJBVAWRKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-8-20-12-5-3-7-18(10-12)16(19)14-15(21-11-17-14)13-6-4-9-22-13/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 320.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).