4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

C10H6F4N2OS — CID 103749776

IUPAC4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESCc1nc(Sc2c(F)c(F)nc(F)c2F)oc1C
InChIInChI=1S/C10H6F4N2OS/c1-3-4(2)17-10(15-3)18-7-5(11)8(13)16-9(14)6(7)12/h1-2H3
InChIKeyBEDVPYQXQVCLTP-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.39
Rot. Bonds2

About 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole

4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (PubChem CID 103749776) has the molecular formula C10H6F4N2OS and a molecular weight of 278.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
PubChem CID103749776
Molecular FormulaC10H6F4N2OS
Molecular Weight278.23 g/mol
Exact Mass278.01
IUPAC Name4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
SMILESCc1nc(Sc2c(F)c(F)nc(F)c2F)oc1C
InChIInChI=1S/C10H6F4N2OS/c1-3-4(2)17-10(15-3)18-7-5(11)8(13)16-9(14)6(7)12/h1-2H3
InChIKeyBEDVPYQXQVCLTP-UHFFFAOYSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole (CID 103749776) is 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is Cc1nc(Sc2c(F)c(F)nc(F)c2F)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
The InChIKey is BEDVPYQXQVCLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2OS/c1-3-4(2)17-10(15-3)18-7-5(11)8(13)16-9(14)6(7)12/h1-2H3.
What are the key properties of 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole?
4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole has a molecular weight of 278.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole is sourced from PubChem (CID 103749776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).