2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone

C19H17FN4O2S — CID 71802568

IUPAC2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ncccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1
InChIInChI=1S/C19H17FN4O2S/c20-14-7-5-13(6-8-14)17-22-18(26-23-17)15-4-3-9-21-19(15)27-12-16(25)24-10-1-2-11-24/h3-9H,1-2,10-12H2
InChIKeyZWNHVXUDCMCROV-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.65
Rot. Bonds5

About 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone

2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 71802568) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID71802568
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ncccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1
InChIInChI=1S/C19H17FN4O2S/c20-14-7-5-13(6-8-14)17-22-18(26-23-17)15-4-3-9-21-19(15)27-12-16(25)24-10-1-2-11-24/h3-9H,1-2,10-12H2
InChIKeyZWNHVXUDCMCROV-UHFFFAOYSA-N
XLogP3.65
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 28072365
CID 29085177
CID 29085177
CID 70768290
CID 70768290
CID 46897628
CID 46897628
CID 77844166
CID 77844166
CID 1512240
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CID 2740804
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CID 4916164
CID 4916164

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone (CID 71802568) is 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone is O=C(CSc1ncccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1.
What is the InChIKey of 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZWNHVXUDCMCROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-14-7-5-13(6-8-14)17-22-18(26-23-17)15-4-3-9-21-19(15)27-12-16(25)24-10-1-2-11-24/h3-9H,1-2,10-12H2.
What are the key properties of 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 384.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71802568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).