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

C14H7ClF4N4O2S — CID 1247739

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H7ClF4N4O2S/c1-5-8(10(23-25-5)9-6(15)3-2-4-7(9)16)11(24)20-13-22-21-12(26-13)14(17,18)19/h2-4H,1H3,(H,20,22,24)
InChIKeyHYWUHVSQTNXIMZ-UHFFFAOYSA-N
MW406.75 g/mol
LogP4.57
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 1247739) has the molecular formula C14H7ClF4N4O2S and a molecular weight of 406.75 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID1247739
Molecular FormulaC14H7ClF4N4O2S
Molecular Weight406.75 g/mol
Exact Mass405.99
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H7ClF4N4O2S/c1-5-8(10(23-25-5)9-6(15)3-2-4-7(9)16)11(24)20-13-22-21-12(26-13)14(17,18)19/h2-4H,1H3,(H,20,22,24)
InChIKeyHYWUHVSQTNXIMZ-UHFFFAOYSA-N
XLogP4.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.75
LogP ≤ 54.57
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)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 1247739) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is HYWUHVSQTNXIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N4O2S/c1-5-8(10(23-25-5)9-6(15)3-2-4-7(9)16)11(24)20-13-22-21-12(26-13)14(17,18)19/h2-4H,1H3,(H,20,22,24).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 406.75 g/mol, XLogP of 4.57, 3 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)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1247739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).