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

C19H20FN3OS — CID 95849702

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccsc1-c1nnc(C2CCN(Cc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H20FN3OS/c1-13-8-11-25-17(13)19-22-21-18(24-19)15-6-9-23(10-7-15)12-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyWNTALCUVSGKXPA-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.63
Rot. Bonds4

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

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 95849702) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID95849702
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccsc1-c1nnc(C2CCN(Cc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H20FN3OS/c1-13-8-11-25-17(13)19-22-21-18(24-19)15-6-9-23(10-7-15)12-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyWNTALCUVSGKXPA-UHFFFAOYSA-N
XLogP4.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 95849702) is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is WNTALCUVSGKXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-13-8-11-25-17(13)19-22-21-18(24-19)15-6-9-23(10-7-15)12-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12H2,1H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 357.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 95849702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).