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

C18H19FN4OS — CID 92598899

IUPAC2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3ccccc3F)CC2)o1
InChIInChI=1S/C18H19FN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)13-6-8-23(9-7-13)10-14-4-2-3-5-15(14)19/h2-5,11,13H,6-10H2,1H3
InChIKeyDLABRZXMMLDSMA-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.02
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598899) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598899
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3ccccc3F)CC2)o1
InChIInChI=1S/C18H19FN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)13-6-8-23(9-7-13)10-14-4-2-3-5-15(14)19/h2-5,11,13H,6-10H2,1H3
InChIKeyDLABRZXMMLDSMA-UHFFFAOYSA-N
XLogP4.02
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 2744370
2-[1-[(3-Methylphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92560823
2-[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598892
2-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598893
2-[1-[(4-Methoxyphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598894
2-[1-[(3-Chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598895
2-[1-[(2,3-Difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598896
2-(1-Benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598897
2-[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598898
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 127050733
(2,4-Dimethylthiazol-5-yl)(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 45540951
(2,4-Dimethylthiazol-5-yl)(3-(5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 71780387

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598899) is 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3F)CC2)o1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is DLABRZXMMLDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)13-6-8-23(9-7-13)10-14-4-2-3-5-15(14)19/h2-5,11,13H,6-10H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 358.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).