3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

C19H11ClF2N4O2S — CID 86942121

IUPAC3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C19H11ClF2N4O2S/c1-9-14(16(25-28-9)15-12(20)3-2-4-13(15)22)18(27)24-19-23-17(26-29-19)10-5-7-11(21)8-6-10/h2-8H,1H3,(H,23,24,26,27)
InChIKeyFDZNLFKPWGNRJN-UHFFFAOYSA-N
MW432.84 g/mol
LogP5.35
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 86942121) has the molecular formula C19H11ClF2N4O2S and a molecular weight of 432.84 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID86942121
Molecular FormulaC19H11ClF2N4O2S
Molecular Weight432.84 g/mol
Exact Mass432.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C19H11ClF2N4O2S/c1-9-14(16(25-28-9)15-12(20)3-2-4-13(15)22)18(27)24-19-23-17(26-29-19)10-5-7-11(21)8-6-10/h2-8H,1H3,(H,23,24,26,27)
InChIKeyFDZNLFKPWGNRJN-UHFFFAOYSA-N
XLogP5.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.84
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 86942121) is 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FDZNLFKPWGNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4O2S/c1-9-14(16(25-28-9)15-12(20)3-2-4-13(15)22)18(27)24-19-23-17(26-29-19)10-5-7-11(21)8-6-10/h2-8H,1H3,(H,23,24,26,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 432.84 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86942121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).