5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C18H16FN3O3S — CID 71454745

IUPAC5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C18H16FN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3
InChIKeyQZRKGRVSSOPKFF-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.97
Rot. Bonds4

About 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 71454745) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID71454745
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C18H16FN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3
InChIKeyQZRKGRVSSOPKFF-UHFFFAOYSA-N
XLogP2.97
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 71454745) is 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is QZRKGRVSSOPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 373.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71454745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).