2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

C10H8ClFN2OS — CID 103738555

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncc(Cl)cc2F)oc1C
InChIInChI=1S/C10H8ClFN2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3
InChIKeyDWKHWVZMOSQIII-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.63
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 103738555) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID103738555
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncc(Cl)cc2F)oc1C
InChIInChI=1S/C10H8ClFN2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3
InChIKeyDWKHWVZMOSQIII-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 103738555) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ncc(Cl)cc2F)oc1C.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is DWKHWVZMOSQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-5-6(2)15-10(14-5)16-9-8(12)3-7(11)4-13-9/h3-4H,1-2H3.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 258.70 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 103738555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).