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

C21H19N5O3S — CID 90642678

IUPAC(5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C21H19N5O3S/c27-21(17-10-18(28-24-17)15-4-1-6-22-11-15)26-7-2-3-14(12-26)9-19-23-20(25-29-19)16-5-8-30-13-16/h1,4-6,8,10-11,13-14H,2-3,7,9,12H2
InChIKeyBPZBGRMAJDBCRK-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.94
Rot. Bonds5

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

(5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642678) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID90642678
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name(5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C21H19N5O3S/c27-21(17-10-18(28-24-17)15-4-1-6-22-11-15)26-7-2-3-14(12-26)9-19-23-20(25-29-19)16-5-8-30-13-16/h1,4-6,8,10-11,13-14H,2-3,7,9,12H2
InChIKeyBPZBGRMAJDBCRK-UHFFFAOYSA-N
XLogP3.94
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642678) is (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(-c2cccnc2)on1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BPZBGRMAJDBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-21(17-10-18(28-24-17)15-4-1-6-22-11-15)26-7-2-3-14(12-26)9-19-23-20(25-29-19)16-5-8-30-13-16/h1,4-6,8,10-11,13-14H,2-3,7,9,12H2.
What are the key properties of (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 421.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-1,2-oxazol-3-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).