(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

C14H18N3O2S+ — CID 8543456

IUPAC(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@H]1CCC[NH+](Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C14H17N3O2S/c15-13(18)10-3-1-5-17(7-10)8-11-9-19-14(16-11)12-4-2-6-20-12/h2,4,6,9-10H,1,3,5,7-8H2,(H2,15,18)/p+1/t10-/m0/s1
InChIKeyASHTWZQFCIVHQO-JTQLQIEISA-O
MW292.38 g/mol
LogP0.68
Rot. Bonds4

About (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide (PubChem CID 8543456) has the molecular formula C14H18N3O2S+ and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
PubChem CID8543456
Molecular FormulaC14H18N3O2S+
Molecular Weight292.38 g/mol
Exact Mass292.11
IUPAC Name(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@H]1CCC[NH+](Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C14H17N3O2S/c15-13(18)10-3-1-5-17(7-10)8-11-9-19-14(16-11)12-4-2-6-20-12/h2,4,6,9-10H,1,3,5,7-8H2,(H2,15,18)/p+1/t10-/m0/s1
InChIKeyASHTWZQFCIVHQO-JTQLQIEISA-O
XLogP0.68
TPSA73.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
(3S)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75479669
1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
(3S)-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide
CID 8543713
1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119117821
(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide
CID 6962116
2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 140775055
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide (CID 8543456) is (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide is NC(=O)[C@H]1CCC[NH+](Cc2coc(-c3cccs3)n2)C1.
What is the InChIKey of (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide?
The InChIKey is ASHTWZQFCIVHQO-JTQLQIEISA-O. The full InChI is InChI=1S/C14H17N3O2S/c15-13(18)10-3-1-5-17(7-10)8-11-9-19-14(16-11)12-4-2-6-20-12/h2,4,6,9-10H,1,3,5,7-8H2,(H2,15,18)/p+1/t10-/m0/s1.
What are the key properties of (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide?
(3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 8543456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).