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

C26H23F2N3O2S — CID 10162784

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3F)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)17-9-11-18(27)12-10-17)26(32)31-13-5-4-6-19(31)14-23-29-15-22(33-23)20-7-2-3-8-21(20)28/h2-3,7-12,15,19H,4-6,13-14H2,1H3
InChIKeyPPMKTRLCUBTSIC-UHFFFAOYSA-N
MW479.55 g/mol
LogP6.29
Rot. Bonds5

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 10162784) 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-(2-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-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID10162784
Molecular FormulaC26H23F2N3O2S
Molecular Weight479.55 g/mol
Exact Mass479.15
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3F)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)17-9-11-18(27)12-10-17)26(32)31-13-5-4-6-19(31)14-23-29-15-22(33-23)20-7-2-3-8-21(20)28/h2-3,7-12,15,19H,4-6,13-14H2,1H3
InChIKeyPPMKTRLCUBTSIC-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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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-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-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone (CID 10162784) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-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-(2-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-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2Cc2ncc(-c3ccccc3F)o2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is PPMKTRLCUBTSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2S/c1-16-30-24(25(34-16)17-9-11-18(27)12-10-17)26(32)31-13-5-4-6-19(31)14-23-29-15-22(33-23)20-7-2-3-8-21(20)28/h2-3,7-12,15,19H,4-6,13-14H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-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-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10162784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).