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

C23H21FN4OS — CID 56766046

IUPAC2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cc1
InChIInChI=1S/C23H21FN4OS/c24-19-8-6-16(7-9-19)21-26-27-22(29-21)17-10-12-28(13-11-17)14-20-15-30-23(25-20)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2
InChIKeyGHVDHTVTBXNNRP-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.38
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 56766046) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID56766046
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cc1
InChIInChI=1S/C23H21FN4OS/c24-19-8-6-16(7-9-19)21-26-27-22(29-21)17-10-12-28(13-11-17)14-20-15-30-23(25-20)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2
InChIKeyGHVDHTVTBXNNRP-UHFFFAOYSA-N
XLogP5.38
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

SB-674042
CID 10204153
(3H)SB-674042
CID 73349109
2-[[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 2570528
N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 16190546
2-([4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methyl)-1,3-benzothiazole
CID 9390285
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-(4-Fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2457094
2-(2-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238026
2-(3-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238027
2-(4-Fluorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238028
2-[[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 139238032

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole (CID 56766046) is 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is GHVDHTVTBXNNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c24-19-8-6-16(7-9-19)21-26-27-22(29-21)17-10-12-28(13-11-17)14-20-15-30-23(25-20)18-4-2-1-3-5-18/h1-9,15,17H,10-14H2.
What are the key properties of 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 420.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56766046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).