4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C14H9F3N2OS — CID 62502729

IUPAC4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2C(F)(F)F)c1-c1cccs1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)9-5-2-1-4-8(9)12-11(13(18)20-19-12)10-6-3-7-21-10/h1-7H,18H2
InChIKeyUFSFTOIHIFFZOZ-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.67
Rot. Bonds2

About 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 62502729) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID62502729
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2C(F)(F)F)c1-c1cccs1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)9-5-2-1-4-8(9)12-11(13(18)20-19-12)10-6-3-7-21-10/h1-7H,18H2
InChIKeyUFSFTOIHIFFZOZ-UHFFFAOYSA-N
XLogP4.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Isoxazolamine, N-(phenylmethylene)-3-(2-thienyl)-
CID 9578692
2-(4-Fluorophenyl)-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143169
2-Methyl-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]benzamide
CID 53143174
2-(3-Fluorophenyl)-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143182
3,5-Difluoro-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]benzamide
CID 53143185
N-[3-(3-thienyl)isoxazol-5-yl]-2-(trifluoromethyl)benzamide
CID 53143329
Isoxazole, 3-phenyl-5-(2-thienyl)-
CID 12307707
3-(3-Methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 28603408
2-(2-Methylphenyl)-N-[3-(thiophen-2-YL)-1,2-oxazol-5-YL]acetamide
CID 53143187
2-Methyl-N-[3-(thiophen-3-YL)-1,2-oxazol-5-YL]benzamide
CID 53143273
2-(2-Methylphenyl)-N-[3-(thiophen-3-YL)-1,2-oxazol-5-YL]acetamide
CID 53143315
5-Phenyl-3-(2-thienyl)isoxazole
CID 12681082

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 62502729) is 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2C(F)(F)F)c1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is UFSFTOIHIFFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)9-5-2-1-4-8(9)12-11(13(18)20-19-12)10-6-3-7-21-10/h1-7H,18H2.
What are the key properties of 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 310.30 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 62502729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).