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

C18H18F2N4OS — CID 92598896

IUPAC2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3cccc(F)c3F)CC2)o1
InChIInChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)12-5-7-24(8-6-12)9-13-3-2-4-14(19)15(13)20/h2-4,10,12H,5-9H2,1H3
InChIKeyQXPAIXRYCPHFTN-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.16
Rot. Bonds4

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

2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598896) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598896
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3cccc(F)c3F)CC2)o1
InChIInChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)12-5-7-24(8-6-12)9-13-3-2-4-14(19)15(13)20/h2-4,10,12H,5-9H2,1H3
InChIKeyQXPAIXRYCPHFTN-UHFFFAOYSA-N
XLogP4.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598896) is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc(C2CCN(Cc3cccc(F)c3F)CC2)o1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is QXPAIXRYCPHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-11-16(26-10-21-11)18-23-22-17(25-18)12-5-7-24(8-6-12)9-13-3-2-4-14(19)15(13)20/h2-4,10,12H,5-9H2,1H3.
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 376.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).