2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide

C17H16FN3O2S — CID 56743071

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1
InChIInChI=1S/C17H16FN3O2S/c1-10-15(20-11(2)24-10)8-17(22)19-9-14-7-16(21-23-14)12-4-3-5-13(18)6-12/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyGXYGXMSBQAOJGI-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 56743071) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID56743071
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1
InChIInChI=1S/C17H16FN3O2S/c1-10-15(20-11(2)24-10)8-17(22)19-9-14-7-16(21-23-14)12-4-3-5-13(18)6-12/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyGXYGXMSBQAOJGI-UHFFFAOYSA-N
XLogP3.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 56743071) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is Cc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is GXYGXMSBQAOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10-15(20-11(2)24-10)8-17(22)19-9-14-7-16(21-23-14)12-4-3-5-13(18)6-12/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 56743071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).