N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

C16H15F3N2O2S — CID 3132752

IUPACN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CCCO1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1,3-4,7,9,13H,2,5-6,8H2,(H,20,21,22)
InChIKeyJKLXXLAQKMGMIO-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.87
Rot. Bonds4

About N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 3132752) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID3132752
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CCCO1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1,3-4,7,9,13H,2,5-6,8H2,(H,20,21,22)
InChIKeyJKLXXLAQKMGMIO-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 3132752) is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CCCO1.
What is the InChIKey of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is JKLXXLAQKMGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1,3-4,7,9,13H,2,5-6,8H2,(H,20,21,22).
What are the key properties of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 3132752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).