N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H16FN3O2S — CID 859877

IUPACN-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)NC1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-11-5-3-4-10(8-11)14-18-19-15(21-14)22-9-13(20)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,17,20)
InChIKeyCETREGVOGRXADK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds5

About N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 859877) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID859877
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)NC1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-11-5-3-4-10(8-11)14-18-19-15(21-14)22-9-13(20)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,17,20)
InChIKeyCETREGVOGRXADK-UHFFFAOYSA-N
XLogP3.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 859877) is N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2cccc(F)c2)o1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CETREGVOGRXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-5-3-4-10(8-11)14-18-19-15(21-14)22-9-13(20)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,17,20).
What are the key properties of N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 859877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).