3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole

C16H13FN4O2 — CID 42516884

IUPAC3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2ccc(N3CCCO3)nc2)n1
InChIInChI=1S/C16H13FN4O2/c17-13-5-2-1-4-12(13)15-19-16(23-20-15)11-6-7-14(18-10-11)21-8-3-9-22-21/h1-2,4-7,10H,3,8-9H2
InChIKeyDVTFVQPMBJXJMQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.08
Rot. Bonds3

About 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 42516884) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID42516884
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(-c2ccc(N3CCCO3)nc2)n1
InChIInChI=1S/C16H13FN4O2/c17-13-5-2-1-4-12(13)15-19-16(23-20-15)11-6-7-14(18-10-11)21-8-3-9-22-21/h1-2,4-7,10H,3,8-9H2
InChIKeyDVTFVQPMBJXJMQ-UHFFFAOYSA-N
XLogP3.08
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 42516884) is 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole is Fc1ccccc1-c1noc(-c2ccc(N3CCCO3)nc2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is DVTFVQPMBJXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-13-5-2-1-4-12(13)15-19-16(23-20-15)11-6-7-14(18-10-11)21-8-3-9-22-21/h1-2,4-7,10H,3,8-9H2.
What are the key properties of 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 312.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[6-(1,2-oxazolidin-2-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42516884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).