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

C26H23F2N3O2S — CID 67158357

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(32)31-13-3-2-4-21(31)14-23-29-15-22(33-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3
InChIKeyPAIOLAZWVAYZLO-UHFFFAOYSA-N
MW479.55 g/mol
LogP6.29
Rot. Bonds5

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 67158357) has the molecular formula C26H23F2N3O2S and a molecular weight of 479.55 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID67158357
Molecular FormulaC26H23F2N3O2S
Molecular Weight479.55 g/mol
Exact Mass479.15
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(32)31-13-3-2-4-21(31)14-23-29-15-22(33-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3
InChIKeyPAIOLAZWVAYZLO-UHFFFAOYSA-N
XLogP6.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
N-benzyl-2-(2-benzyloxazol-5-yl)-4-methylthiazole-5-carboxamide
CID 24960065
2-[[2-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16293657
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 71868998
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
5-phenyl-N-((2-phenylthiazol-4-yl)methyl)oxazole-2-carboxamide
CID 76145312
2-(1,3-Benzothiazol-2-yl)-5-phenyl-1,3-oxazole
CID 102452120
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 16593115
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16603689
5-(4-Fluorophenyl)-6,7-dimethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-YL)methyl]-1H,2H,3H-thieno[2,3-E][1,4]diazepin-2-one
CID 20956272
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1,3-thiazol-2-yl)piperidine
CID 45228295
5-[(2-Fluorophenyl)methyl]-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-oxazole
CID 110099410

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (CID 67158357) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccc(F)cc3)o2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is PAIOLAZWVAYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(32)31-13-3-2-4-21(31)14-23-29-15-22(33-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 479.55 g/mol, XLogP of 6.29, 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-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67158357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).