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

C14H11ClFN3O2S — CID 1245581

IUPAC3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1
InChIInChI=1S/C14H11ClFN3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-4H,5-6H2,1H3,(H,17,18,20)
InChIKeyVKQQISHCFPHJIF-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.28
Rot. Bonds2

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

3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1245581) has the molecular formula C14H11ClFN3O2S and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1245581
Molecular FormulaC14H11ClFN3O2S
Molecular Weight339.78 g/mol
Exact Mass339.02
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1
InChIInChI=1S/C14H11ClFN3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-4H,5-6H2,1H3,(H,17,18,20)
InChIKeyVKQQISHCFPHJIF-UHFFFAOYSA-N
XLogP3.28
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2797972
CID 2797972
CID 2804980
CID 2804980
CID 653647
CID 653647
CID 2374581
CID 2374581
CID 2804933
CID 2804933
CID 1221347
CID 1221347
CID 2797977
CID 2797977
CID 2804934
CID 2804934
CID 769448
CID 769448
CID 1247720
CID 1247720
CID 2820385
CID 2820385
CID 2930388
CID 2930388

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1245581) is 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VKQQISHCFPHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2S/c1-7-10(13(20)18-14-17-5-6-22-14)12(19-21-7)11-8(15)3-2-4-9(11)16/h2-4H,5-6H2,1H3,(H,17,18,20).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).