2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide

C12H7ClF3N3O2S — CID 158930771

IUPAC2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide
SMILESFC(F)(F)c1ccc2nc(Cl)oc2c1.NC(=O)c1cscn1
InChIInChI=1S/C8H3ClF3NO.C4H4N2OS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7;5-4(7)3-1-8-2-6-3/h1-3H;1-2H,(H2,5,7)
InChIKeyJJAHGMNEKKYHRT-UHFFFAOYSA-N
MW349.72 g/mol
LogP3.74
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide

2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide (PubChem CID 158930771) has the molecular formula C12H7ClF3N3O2S and a molecular weight of 349.72 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide
PubChem CID158930771
Molecular FormulaC12H7ClF3N3O2S
Molecular Weight349.72 g/mol
Exact Mass348.99
IUPAC Name2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide
SMILESFC(F)(F)c1ccc2nc(Cl)oc2c1.NC(=O)c1cscn1
InChIInChI=1S/C8H3ClF3NO.C4H4N2OS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7;5-4(7)3-1-8-2-6-3/h1-3H;1-2H,(H2,5,7)
InChIKeyJJAHGMNEKKYHRT-UHFFFAOYSA-N
XLogP3.74
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide (CID 158930771) is 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide is FC(F)(F)c1ccc2nc(Cl)oc2c1.NC(=O)c1cscn1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide?
The InChIKey is JJAHGMNEKKYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO.C4H4N2OS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7;5-4(7)3-1-8-2-6-3/h1-3H;1-2H,(H2,5,7).
What are the key properties of 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide?
2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide has a molecular weight of 349.72 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-1,3-benzoxazole;1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158930771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).