N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide

C18H10F3N3O3S — CID 46175718

IUPACN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C18H10F3N3O3S/c19-18(20,21)27-12-6-2-1-4-10(12)16-23-14-11(5-3-7-13(14)26-16)15(25)24-17-22-8-9-28-17/h1-9H,(H,22,24,25)
InChIKeyBLQVTCJXGMWPOO-UHFFFAOYSA-N
MW405.36 g/mol
LogP5.10
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide

N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide (PubChem CID 46175718) 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-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
PubChem CID46175718
Molecular FormulaC18H10F3N3O3S
Molecular Weight405.36 g/mol
Exact Mass405.04
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C18H10F3N3O3S/c19-18(20,21)27-12-6-2-1-4-10(12)16-23-14-11(5-3-7-13(14)26-16)15(25)24-17-22-8-9-28-17/h1-9H,(H,22,24,25)
InChIKeyBLQVTCJXGMWPOO-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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide (CID 46175718) is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The InChIKey is BLQVTCJXGMWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O3S/c19-18(20,21)27-12-6-2-1-4-10(12)16-23-14-11(5-3-7-13(14)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-4-carboxamide?
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-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-4-carboxamide is sourced from PubChem (CID 46175718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).