[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C17H23N3O2S — CID 131912263

IUPAC[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCCc1cc(CNC2CCN(C(=O)c3cccs3)CC2)on1
InChIInChI=1S/C17H23N3O2S/c1-2-4-14-11-15(22-19-14)12-18-13-6-8-20(9-7-13)17(21)16-5-3-10-23-16/h3,5,10-11,13,18H,2,4,6-9,12H2,1H3
InChIKeyOKJCRAPOVVACAQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.08
Rot. Bonds6

About [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131912263) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID131912263
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCCc1cc(CNC2CCN(C(=O)c3cccs3)CC2)on1
InChIInChI=1S/C17H23N3O2S/c1-2-4-14-11-15(22-19-14)12-18-13-6-8-20(9-7-13)17(21)16-5-3-10-23-16/h3,5,10-11,13,18H,2,4,6-9,12H2,1H3
InChIKeyOKJCRAPOVVACAQ-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 131912263) is [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is CCCc1cc(CNC2CCN(C(=O)c3cccs3)CC2)on1.
What is the InChIKey of [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OKJCRAPOVVACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-4-14-11-15(22-19-14)12-18-13-6-8-20(9-7-13)17(21)16-5-3-10-23-16/h3,5,10-11,13,18H,2,4,6-9,12H2,1H3.
What are the key properties of [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 333.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propyl-1,2-oxazol-5-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131912263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).