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

C19H18FN3O2S — CID 126463518

IUPAC[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cc2ccc(F)cc2)no1)N1CCCCC1c1nccs1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)11-15-12-17(25-22-15)19(24)23-9-2-1-3-16(23)18-21-8-10-26-18/h4-8,10,12,16H,1-3,9,11H2
InChIKeySDOOLMVCLLSCMX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.23
Rot. Bonds4

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

[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 126463518) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID126463518
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cc2ccc(F)cc2)no1)N1CCCCC1c1nccs1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)11-15-12-17(25-22-15)19(24)23-9-2-1-3-16(23)18-21-8-10-26-18/h4-8,10,12,16H,1-3,9,11H2
InChIKeySDOOLMVCLLSCMX-UHFFFAOYSA-N
XLogP4.23
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 126463518) is [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cc(Cc2ccc(F)cc2)no1)N1CCCCC1c1nccs1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SDOOLMVCLLSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)11-15-12-17(25-22-15)19(24)23-9-2-1-3-16(23)18-21-8-10-26-18/h4-8,10,12,16H,1-3,9,11H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126463518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).