3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole

C16H13FN2O2S — CID 45234382

IUPAC3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(-c4ccsc4)n3)CCOC2)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-3-1-12(2-4-13)16(6-7-20-10-16)15-18-14(21-19-15)11-5-8-22-9-11/h1-5,8-9H,6-7,10H2
InChIKeyAYPLCNSEOHSLPW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.64
Rot. Bonds3

About 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 45234382) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID45234382
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(-c4ccsc4)n3)CCOC2)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-3-1-12(2-4-13)16(6-7-20-10-16)15-18-14(21-19-15)11-5-8-22-9-11/h1-5,8-9H,6-7,10H2
InChIKeyAYPLCNSEOHSLPW-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 45234382) is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole is Fc1ccc(C2(c3noc(-c4ccsc4)n3)CCOC2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is AYPLCNSEOHSLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-13-3-1-12(2-4-13)16(6-7-20-10-16)15-18-14(21-19-15)11-5-8-22-9-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 45234382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).