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

C18H10F3N3O3S — CID 87688366

IUPACN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12
InChIInChI=1S/C18H10F3N3O3S/c19-18(20,21)27-13-7-2-1-4-10(13)16-23-12-6-3-5-11(14(12)26-16)15(25)24-17-22-8-9-28-17/h1-9H,(H,22,24,25)
InChIKeyDUGOROFCYCZEID-UHFFFAOYSA-N
MW405.36 g/mol
LogP5.10
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 87688366) has the molecular formula C18H10F3N3O3S and a molecular weight of 405.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID87688366
Molecular FormulaC18H10F3N3O3S
Molecular Weight405.36 g/mol
Exact Mass405.04
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12
InChIInChI=1S/C18H10F3N3O3S/c19-18(20,21)27-13-7-2-1-4-10(13)16-23-12-6-3-5-11(14(12)26-16)15(25)24-17-22-8-9-28-17/h1-9H,(H,22,24,25)
InChIKeyDUGOROFCYCZEID-UHFFFAOYSA-N
XLogP5.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide (CID 87688366) is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide is O=C(Nc1nccs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is DUGOROFCYCZEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O3S/c19-18(20,21)27-13-7-2-1-4-10(13)16-23-12-6-3-5-11(14(12)26-16)15(25)24-17-22-8-9-28-17/h1-9H,(H,22,24,25).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 405.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 87688366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).