N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C18H15F3N4O3S — CID 57398504

IUPACN-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)s1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26)
InChIKeyVFGPJUSSSVUVHW-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.91
Rot. Bonds4

About N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 57398504) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID57398504
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)s1)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26)
InChIKeyVFGPJUSSSVUVHW-UHFFFAOYSA-N
XLogP3.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 57398504) is N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cnc(N2CCOCC2)s1)c1nc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VFGPJUSSSVUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26).
What are the key properties of N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-thiazol-5-yl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57398504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).