N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide

C23H19F3N4O4S — CID 46175537

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12
InChIInChI=1S/C23H19F3N4O4S/c24-23(25,26)34-18-7-2-1-4-15(18)21-28-17-6-3-5-16(19(17)33-21)20(31)29-22-27-14(13-35-22)12-30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H,27,29,31)
InChIKeyUFXFRBAXZNLUDM-UHFFFAOYSA-N
MW504.49 g/mol
LogP4.93
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 46175537) has the molecular formula C23H19F3N4O4S and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID46175537
Molecular FormulaC23H19F3N4O4S
Molecular Weight504.49 g/mol
Exact Mass504.11
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12
InChIInChI=1S/C23H19F3N4O4S/c24-23(25,26)34-18-7-2-1-4-15(18)21-28-17-6-3-5-16(19(17)33-21)20(31)29-22-27-14(13-35-22)12-30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H,27,29,31)
InChIKeyUFXFRBAXZNLUDM-UHFFFAOYSA-N
XLogP4.93
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide (CID 46175537) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is UFXFRBAXZNLUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4S/c24-23(25,26)34-18-7-2-1-4-15(18)21-28-17-6-3-5-16(19(17)33-21)20(31)29-22-27-14(13-35-22)12-30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H,27,29,31).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 504.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 46175537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).