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

C26H24FN3O2S — CID 10298315

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24FN3O2S/c1-17-29-24(25(33-17)19-10-12-20(27)13-11-19)26(31)30-14-6-5-9-21(30)15-23-28-16-22(32-23)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,21H,5-6,9,14-15H2,1H3
InChIKeyDQEFBEGTHLQTGA-UHFFFAOYSA-N
MW461.56 g/mol
LogP6.15
Rot. Bonds5

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 10298315) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID10298315
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24FN3O2S/c1-17-29-24(25(33-17)19-10-12-20(27)13-11-19)26(31)30-14-6-5-9-21(30)15-23-28-16-22(32-23)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,21H,5-6,9,14-15H2,1H3
InChIKeyDQEFBEGTHLQTGA-UHFFFAOYSA-N
XLogP6.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone (CID 10298315) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3)o2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is DQEFBEGTHLQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-17-29-24(25(33-17)19-10-12-20(27)13-11-19)26(31)30-14-6-5-9-21(30)15-23-28-16-22(32-23)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,21H,5-6,9,14-15H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 461.56 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10298315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).