3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

C12H12F3N3O2S — CID 52745813

IUPAC3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCc1csc(N(CC(F)(F)F)C(=O)c2c(C)noc2C)n1
InChIInChI=1S/C12H12F3N3O2S/c1-6-4-21-11(16-6)18(5-12(13,14)15)10(19)9-7(2)17-20-8(9)3/h4H,5H2,1-3H3
InChIKeyRYVUQYONMFAHKI-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.27
Rot. Bonds3

About 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (PubChem CID 52745813) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
PubChem CID52745813
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCc1csc(N(CC(F)(F)F)C(=O)c2c(C)noc2C)n1
InChIInChI=1S/C12H12F3N3O2S/c1-6-4-21-11(16-6)18(5-12(13,14)15)10(19)9-7(2)17-20-8(9)3/h4H,5H2,1-3H3
InChIKeyRYVUQYONMFAHKI-UHFFFAOYSA-N
XLogP3.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (CID 52745813) is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is Cc1csc(N(CC(F)(F)F)C(=O)c2c(C)noc2C)n1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RYVUQYONMFAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-6-4-21-11(16-6)18(5-12(13,14)15)10(19)9-7(2)17-20-8(9)3/h4H,5H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 52745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).