5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole

C19H20FN3OS — CID 110099410

IUPAC5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cc1cnc(C2CCCN(Cc3cscn3)C2)o1
InChIInChI=1S/C19H20FN3OS/c20-18-6-2-1-4-14(18)8-17-9-21-19(24-17)15-5-3-7-23(10-15)11-16-12-25-13-22-16/h1-2,4,6,9,12-13,15H,3,5,7-8,10-11H2
InChIKeyXAGTZMQYYYUNKF-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.24
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole

5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole (PubChem CID 110099410) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole
PubChem CID110099410
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cc1cnc(C2CCCN(Cc3cscn3)C2)o1
InChIInChI=1S/C19H20FN3OS/c20-18-6-2-1-4-14(18)8-17-9-21-19(24-17)15-5-3-7-23(10-15)11-16-12-25-13-22-16/h1-2,4,6,9,12-13,15H,3,5,7-8,10-11H2
InChIKeyXAGTZMQYYYUNKF-UHFFFAOYSA-N
XLogP4.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole (CID 110099410) is 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole is Fc1ccccc1Cc1cnc(C2CCCN(Cc3cscn3)C2)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole?
The InChIKey is XAGTZMQYYYUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c20-18-6-2-1-4-14(18)8-17-9-21-19(24-17)15-5-3-7-23(10-15)11-16-12-25-13-22-16/h1-2,4,6,9,12-13,15H,3,5,7-8,10-11H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole?
5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole has a molecular weight of 357.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 110099410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).