5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C14H9ClFN3OS — CID 17435731

IUPAC5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1
InChIInChI=1S/C14H9ClFN3OS/c15-11-2-1-7-17-14(11)21-8-12-18-13(19-20-12)9-3-5-10(16)6-4-9/h1-7H,8H2
InChIKeyXIEGMSLYIJTVOY-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.22
Rot. Bonds4

About 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 17435731) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID17435731
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1
InChIInChI=1S/C14H9ClFN3OS/c15-11-2-1-7-17-14(11)21-8-12-18-13(19-20-12)9-3-5-10(16)6-4-9/h1-7H,8H2
InChIKeyXIEGMSLYIJTVOY-UHFFFAOYSA-N
XLogP4.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 17435731) is 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is XIEGMSLYIJTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-11-2-1-7-17-14(11)21-8-12-18-13(19-20-12)9-3-5-10(16)6-4-9/h1-7H,8H2.
What are the key properties of 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 321.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 17435731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).