5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C16H12F3N3O3S — CID 55711744

IUPAC5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H12F3N3O3S/c1-9-13(22-15(25-9)11-3-2-6-26-11)14(23)21-10-4-5-12(20-7-10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23)
InChIKeySWIBROLKVXUGKI-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.30
Rot. Bonds5

About 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide

5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 55711744) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID55711744
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H12F3N3O3S/c1-9-13(22-15(25-9)11-3-2-6-26-11)14(23)21-10-4-5-12(20-7-10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23)
InChIKeySWIBROLKVXUGKI-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 55711744) is 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SWIBROLKVXUGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c1-9-13(22-15(25-9)11-3-2-6-26-11)14(23)21-10-4-5-12(20-7-10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55711744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).