5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C19H22FN5O2S — CID 71657578

IUPAC5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3ncc(-c4ccc(F)nc4)s3)CC2)n1
InChIInChI=1S/C19H22FN5O2S/c1-12(2)17-23-18(27-24-17)25-7-5-13(6-8-25)11-26-19-22-10-15(28-19)14-3-4-16(20)21-9-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3
InChIKeyKXDRLOHRXZWKPX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.15
Rot. Bonds6

About 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 71657578) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID71657578
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC Name5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3ncc(-c4ccc(F)nc4)s3)CC2)n1
InChIInChI=1S/C19H22FN5O2S/c1-12(2)17-23-18(27-24-17)25-7-5-13(6-8-25)11-26-19-22-10-15(28-19)14-3-4-16(20)21-9-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3
InChIKeyKXDRLOHRXZWKPX-UHFFFAOYSA-N
XLogP4.15
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 71657578) is 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(COc3ncc(-c4ccc(F)nc4)s3)CC2)n1.
What is the InChIKey of 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KXDRLOHRXZWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-12(2)17-23-18(27-24-17)25-7-5-13(6-8-25)11-26-19-22-10-15(28-19)14-3-4-16(20)21-9-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3.
What are the key properties of 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 403.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71657578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).