3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C16H14FN3O2S — CID 46472336

IUPAC3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(-c3cccc(F)c3)no2)cs1
InChIInChI=1S/C16H14FN3O2S/c1-10-19-13(9-23-10)5-6-18-16(21)15-8-14(20-22-15)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3,(H,18,21)
InChIKeyLFXAAFLIEMSXEL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.22
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 46472336) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID46472336
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(-c3cccc(F)c3)no2)cs1
InChIInChI=1S/C16H14FN3O2S/c1-10-19-13(9-23-10)5-6-18-16(21)15-8-14(20-22-15)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3,(H,18,21)
InChIKeyLFXAAFLIEMSXEL-UHFFFAOYSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 46472336) is 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1nc(CCNC(=O)c2cc(-c3cccc(F)c3)no2)cs1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LFXAAFLIEMSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10-19-13(9-23-10)5-6-18-16(21)15-8-14(20-22-15)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3,(H,18,21).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46472336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).