N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide

C18H10F3N3O2S — CID 46175539

IUPACN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)12-6-2-1-4-10(12)16-23-13-7-3-5-11(14(13)26-16)15(25)24-17-22-8-9-27-17/h1-9H,(H,22,24,25)
InChIKeyBUCOEAPLKLLTEY-UHFFFAOYSA-N
MW389.36 g/mol
LogP5.22
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide

N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 46175539) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID46175539
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)12-6-2-1-4-10(12)16-23-13-7-3-5-11(14(13)26-16)15(25)24-17-22-8-9-27-17/h1-9H,(H,22,24,25)
InChIKeyBUCOEAPLKLLTEY-UHFFFAOYSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 2497379
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1203697
N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 88979793
3-(benzo[d]oxazol-2-yl)-3-(4-fluorophenyl)-N-(thiazol-2-ylmethyl) propanamide
CID 172432687
3-(1,3-benzoxazol-2-yl)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8106880
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
5-(4-Fluorophenyl)-N-[4-(pyridin-2-YL)-1,3-thiazol-2-YL]-1,3-oxazole-4-carboxamide
CID 16675830
N-(1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 46958826
5-(4-fluorophenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 95806853
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46175537
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46175540
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46175541

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide (CID 46175539) is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide is O=C(Nc1nccs1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is BUCOEAPLKLLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-18(20,21)12-6-2-1-4-10(12)16-23-13-7-3-5-11(14(13)26-16)15(25)24-17-22-8-9-27-17/h1-9H,(H,22,24,25).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 46175539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).