3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride

C17H19ClFN3OS — CID 173056238

IUPAC3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.FC1(c2nc(C3=NOC(c4ccccc4)C3)cs2)CCNCC1
InChIInChI=1S/C17H18FN3OS.ClH/c18-17(6-8-19-9-7-17)16-20-14(11-23-16)13-10-15(22-21-13)12-4-2-1-3-5-12;/h1-5,11,15,19H,6-10H2;1H
InChIKeyHMHDLAWDPDGUFB-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.98
Rot. Bonds3

About 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride

3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 173056238) has the molecular formula C17H19ClFN3OS and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID173056238
Molecular FormulaC17H19ClFN3OS
Molecular Weight367.88 g/mol
Exact Mass367.09
IUPAC Name3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.FC1(c2nc(C3=NOC(c4ccccc4)C3)cs2)CCNCC1
InChIInChI=1S/C17H18FN3OS.ClH/c18-17(6-8-19-9-7-17)16-20-14(11-23-16)13-10-15(22-21-13)12-4-2-1-3-5-12;/h1-5,11,15,19H,6-10H2;1H
InChIKeyHMHDLAWDPDGUFB-UHFFFAOYSA-N
XLogP3.98
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride (CID 173056238) is 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.FC1(c2nc(C3=NOC(c4ccccc4)C3)cs2)CCNCC1.
What is the InChIKey of 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is HMHDLAWDPDGUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS.ClH/c18-17(6-8-19-9-7-17)16-20-14(11-23-16)13-10-15(22-21-13)12-4-2-1-3-5-12;/h1-5,11,15,19H,6-10H2;1H.
What are the key properties of 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoropiperidin-4-yl)-1,3-thiazol-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 173056238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).