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

C8H5F3N2OS — CID 66197987

IUPAC4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1cccs1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)6-5(7(12)13-14-6)4-2-1-3-15-4/h1-3H,(H2,12,13)
InChIKeySXNABZVQVLOKSA-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.00
Rot. Bonds1

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

4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 66197987) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID66197987
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1cccs1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)6-5(7(12)13-14-6)4-2-1-3-15-4/h1-3H,(H2,12,13)
InChIKeySXNABZVQVLOKSA-UHFFFAOYSA-N
XLogP3.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 66197987) is 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine is Nc1noc(C(F)(F)F)c1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is SXNABZVQVLOKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)6-5(7(12)13-14-6)4-2-1-3-15-4/h1-3H,(H2,12,13).
What are the key properties of 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 234.20 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).