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

C19H19N3O2S — CID 135119352

IUPAC[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(Cc2cc(-c3ccncc3)no2)C1
InChIInChI=1S/C19H19N3O2S/c23-19(18-4-2-10-25-18)15-3-1-9-22(12-15)13-16-11-17(21-24-16)14-5-7-20-8-6-14/h2,4-8,10-11,15H,1,3,9,12-13H2
InChIKeyNVKXJGXAVIFOQF-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.89
Rot. Bonds5

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

[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 135119352) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID135119352
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(Cc2cc(-c3ccncc3)no2)C1
InChIInChI=1S/C19H19N3O2S/c23-19(18-4-2-10-25-18)15-3-1-9-22(12-15)13-16-11-17(21-24-16)14-5-7-20-8-6-14/h2,4-8,10-11,15H,1,3,9,12-13H2
InChIKeyNVKXJGXAVIFOQF-UHFFFAOYSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 95215186
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 131902477
[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-3-yl]-thiophen-2-ylmethanone;dihydrochloride
CID 154892679
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
CID 95714413
[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135099465
[1-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 45182292
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[(3S)-1-[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 25386522
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 39979332

Frequently Asked Questions

What is the IUPAC name of [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone (CID 135119352) is [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1CCCN(Cc2cc(-c3ccncc3)no2)C1.
What is the InChIKey of [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is NVKXJGXAVIFOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(18-4-2-10-25-18)15-3-1-9-22(12-15)13-16-11-17(21-24-16)14-5-7-20-8-6-14/h2,4-8,10-11,15H,1,3,9,12-13H2.
What are the key properties of [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone?
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 135119352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).