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

C16H12ClFN4O2S — CID 2798860

IUPAC3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H12ClFN4O2S/c1-7-11(13(22-24-7)12-9(17)3-2-4-10(12)18)14(23)19-16-21-20-15(25-16)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,19,21,23)
InChIKeyHUGLAWWZHQYLSC-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.42
Rot. Bonds4

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

3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2798860) has the molecular formula C16H12ClFN4O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2798860
Molecular FormulaC16H12ClFN4O2S
Molecular Weight378.82 g/mol
Exact Mass378.04
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H12ClFN4O2S/c1-7-11(13(22-24-7)12-9(17)3-2-4-10(12)18)14(23)19-16-21-20-15(25-16)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,19,21,23)
InChIKeyHUGLAWWZHQYLSC-UHFFFAOYSA-N
XLogP4.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.42
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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2798860) is 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HUGLAWWZHQYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2S/c1-7-11(13(22-24-7)12-9(17)3-2-4-10(12)18)14(23)19-16-21-20-15(25-16)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,19,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.42, 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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2798860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).