5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid

C19H10ClFN4O3S — CID 90004817

IUPAC5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2nc(-c3cccc(F)c3)oc2Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C19H10ClFN4O3S/c20-11-4-5-15(24-7-11)29-19-16(13-8-23-14(9-22-13)18(26)27)25-17(28-19)10-2-1-3-12(21)6-10/h1-9H,(H,26,27)
InChIKeyZCYMIWNGAMGFRZ-UHFFFAOYSA-N
MW428.83 g/mol
LogP4.84
Rot. Bonds5

About 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid

5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid (PubChem CID 90004817) has the molecular formula C19H10ClFN4O3S and a molecular weight of 428.83 g/mol. Its IUPAC name is 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid
PubChem CID90004817
Molecular FormulaC19H10ClFN4O3S
Molecular Weight428.83 g/mol
Exact Mass428.01
IUPAC Name5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2nc(-c3cccc(F)c3)oc2Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C19H10ClFN4O3S/c20-11-4-5-15(24-7-11)29-19-16(13-8-23-14(9-22-13)18(26)27)25-17(28-19)10-2-1-3-12(21)6-10/h1-9H,(H,26,27)
InChIKeyZCYMIWNGAMGFRZ-UHFFFAOYSA-N
XLogP4.84
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid (CID 90004817) is 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2nc(-c3cccc(F)c3)oc2Sc2ccc(Cl)cn2)cn1.
What is the InChIKey of 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is ZCYMIWNGAMGFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4O3S/c20-11-4-5-15(24-7-11)29-19-16(13-8-23-14(9-22-13)18(26)27)25-17(28-19)10-2-1-3-12(21)6-10/h1-9H,(H,26,27).
What are the key properties of 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid?
5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 428.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(3-fluorophenyl)-1,3-oxazol-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 90004817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).