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

C27H26FN3O2S — CID 67158424

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C27H26FN3O2S/c1-17-24(19-8-4-3-5-9-19)30-23(33-17)16-22-10-6-7-15-31(22)27(32)25-26(34-18(2)29-25)20-11-13-21(28)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-16H2,1-2H3
InChIKeyZHRKIAZCDJAIFT-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.46
Rot. Bonds5

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 67158424) has the molecular formula C27H26FN3O2S and a molecular weight of 475.59 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-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-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID67158424
Molecular FormulaC27H26FN3O2S
Molecular Weight475.59 g/mol
Exact Mass475.17
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2Cc2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C27H26FN3O2S/c1-17-24(19-8-4-3-5-9-19)30-23(33-17)16-22-10-6-7-15-31(22)27(32)25-26(34-18(2)29-25)20-11-13-21(28)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-16H2,1-2H3
InChIKeyZHRKIAZCDJAIFT-UHFFFAOYSA-N
XLogP6.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.46
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-methyl-4-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-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone (CID 67158424) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-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-methyl-4-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-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2Cc2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZHRKIAZCDJAIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2S/c1-17-24(19-8-4-3-5-9-19)30-23(33-17)16-22-10-6-7-15-31(22)27(32)25-26(34-18(2)29-25)20-11-13-21(28)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-16H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 475.59 g/mol, XLogP of 6.46, 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-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67158424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).