5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C17H25N3O2S — CID 100682683

IUPAC5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O2S/c21-17(15-9-16(22-19-15)13-1-2-13)18-10-12-3-6-20(7-4-12)14-5-8-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,21)/t14-/m1/s1
InChIKeyXHCIOAZEPAFLLN-CQSZACIVSA-N
MW335.47 g/mol
LogP2.50
Rot. Bonds5

About 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 100682683) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID100682683
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O2S/c21-17(15-9-16(22-19-15)13-1-2-13)18-10-12-3-6-20(7-4-12)14-5-8-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,21)/t14-/m1/s1
InChIKeyXHCIOAZEPAFLLN-CQSZACIVSA-N
XLogP2.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 100682683) is 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN([C@@H]2CCSC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XHCIOAZEPAFLLN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-17(15-9-16(22-19-15)13-1-2-13)18-10-12-3-6-20(7-4-12)14-5-8-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,21)/t14-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 100682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).