3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

C21H20FN7O4S — CID 3225861

IUPAC3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)ccc1-n1cnnn1
InChIInChI=1S/C21H20FN7O4S/c1-32-19-11-17(8-9-18(19)29-13-23-26-27-29)34(30,31)28-10-2-3-15(12-28)21-24-20(25-33-21)14-4-6-16(22)7-5-14/h4-9,11,13,15H,2-3,10,12H2,1H3
InChIKeyYXNNAOHMAANBHU-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.43
Rot. Bonds6

About 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 3225861) has the molecular formula C21H20FN7O4S and a molecular weight of 485.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID3225861
Molecular FormulaC21H20FN7O4S
Molecular Weight485.50 g/mol
Exact Mass485.13
IUPAC Name3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)ccc1-n1cnnn1
InChIInChI=1S/C21H20FN7O4S/c1-32-19-11-17(8-9-18(19)29-13-23-26-27-29)34(30,31)28-10-2-3-15(12-28)21-24-20(25-33-21)14-4-6-16(22)7-5-14/h4-9,11,13,15H,2-3,10,12H2,1H3
InChIKeyYXNNAOHMAANBHU-UHFFFAOYSA-N
XLogP2.43
TPSA129.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
5-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453842
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745
2-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 654021
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
3-(4-methoxyphenyl)-5-[(3S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 27443705
3-(4-ethoxy-3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 46350406
5-[1-[3-(difluoromethoxy)-4-methoxyphenyl]sulfonylpiperidin-4-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 46299983
5-[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 1456170
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751751

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 3225861) is 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is COc1cc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)ccc1-n1cnnn1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is YXNNAOHMAANBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O4S/c1-32-19-11-17(8-9-18(19)29-13-23-26-27-29)34(30,31)28-10-2-3-15(12-28)21-24-20(25-33-21)14-4-6-16(22)7-5-14/h4-9,11,13,15H,2-3,10,12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 485.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 3225861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).