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

C16H20N2O3S — CID 95616068

IUPAC[(3R)-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-/m1/s1
InChIKeyLVMXGQJBVAWRKV-GFCCVEGCSA-N
MW320.41 g/mol
LogP3.43
Rot. Bonds5

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

[(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 95616068) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID95616068
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[(3R)-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-/m1/s1
InChIKeyLVMXGQJBVAWRKV-GFCCVEGCSA-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

Analyze [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3S)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95616069
(2S)-1-(5-thiophen-2-yl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 124703106
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95315636
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62075422

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone (CID 95616068) is [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-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 [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is LVMXGQJBVAWRKV-GFCCVEGCSA-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-/m1/s1.
What are the key properties of [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
[(3R)-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 [(3R)-3-propoxypiperidin-1-yl]-(5-thiophen-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).