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

C27H26FN3O3S — CID 10300132

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cnc(CC2CCCCN2C(=O)c2nc(C)sc2-c2ccc(F)cc2)o1
InChIInChI=1S/C27H26FN3O3S/c1-17-30-25(26(35-17)18-10-12-19(28)13-11-18)27(32)31-14-6-5-7-20(31)15-24-29-16-23(34-24)21-8-3-4-9-22(21)33-2/h3-4,8-13,16,20H,5-7,14-15H2,1-2H3
InChIKeyOVRJXIJEKAGLAA-UHFFFAOYSA-N
MW491.59 g/mol
LogP6.16
Rot. Bonds6

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 10300132) has the molecular formula C27H26FN3O3S and a molecular weight of 491.59 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID10300132
Molecular FormulaC27H26FN3O3S
Molecular Weight491.59 g/mol
Exact Mass491.17
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cnc(CC2CCCCN2C(=O)c2nc(C)sc2-c2ccc(F)cc2)o1
InChIInChI=1S/C27H26FN3O3S/c1-17-30-25(26(35-17)18-10-12-19(28)13-11-18)27(32)31-14-6-5-7-20(31)15-24-29-16-23(34-24)21-8-3-4-9-22(21)33-2/h3-4,8-13,16,20H,5-7,14-15H2,1-2H3
InChIKeyOVRJXIJEKAGLAA-UHFFFAOYSA-N
XLogP6.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-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

Related Compounds

2-(2-Ethoxyphenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191914
5-(4-fluorophenyl)-N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)oxazole-2-carboxamide
CID 76145348
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16603689
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1,3-thiazol-2-yl)piperidine
CID 45228295
(RS)-2-(2-Benzofuranylmethyl)-1-((5-(4-fluorophenyl)-2-methyl-thiazol-4-yl)-carbonyl)-piperidine
CID 10160068
N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]-2-methoxybenzamide
CID 10162238
[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
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 10300131
1-[2-[[1-[5-(4-Fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-3-yl]ethanone
CID 23146265
(RS)-1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-1-[2-(3-methyl-benzofuran-2-ylmethyl)-piperidin-1-yl]-methanone
CID 23146308
[2-(1-Benzofuran-2-ylmethyl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 23146309
[2-(1-Benzofuran-2-ylmethyl)piperazin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 23146312

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (CID 10300132) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is COc1ccccc1-c1cnc(CC2CCCCN2C(=O)c2nc(C)sc2-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is OVRJXIJEKAGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3S/c1-17-30-25(26(35-17)18-10-12-19(28)13-11-18)27(32)31-14-6-5-7-20(31)15-24-29-16-23(34-24)21-8-3-4-9-22(21)33-2/h3-4,8-13,16,20H,5-7,14-15H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 491.59 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10300132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).