2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole

C9H7FN2OS — CID 126781271

IUPAC2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(CSc2ncco2)nc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-2-8(12-5-7)6-14-9-11-3-4-13-9/h1-5H,6H2
InChIKeyDVMFABMEZHLWMQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.50
Rot. Bonds3

About 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole

2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole (PubChem CID 126781271) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole
PubChem CID126781271
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole
SMILESFc1ccc(CSc2ncco2)nc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-2-8(12-5-7)6-14-9-11-3-4-13-9/h1-5H,6H2
InChIKeyDVMFABMEZHLWMQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole (CID 126781271) is 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole is Fc1ccc(CSc2ncco2)nc1.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is DVMFABMEZHLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-1-2-8(12-5-7)6-14-9-11-3-4-13-9/h1-5H,6H2.
What are the key properties of 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole?
2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 210.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 126781271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).