N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C18H17F3N4O3S — CID 59301412

IUPACN-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)s1
InChIInChI=1S/C18H17F3N4O3S/c1-25(8-9-27-2)17-22-10-12(29-17)23-15(26)13-14(18(19,20)21)28-16(24-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,23,26)
InChIKeyPYWFSRIUPYNFMR-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.15
Rot. Bonds7

About N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 59301412) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID59301412
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)s1
InChIInChI=1S/C18H17F3N4O3S/c1-25(8-9-27-2)17-22-10-12(29-17)23-15(26)13-14(18(19,20)21)28-16(24-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,23,26)
InChIKeyPYWFSRIUPYNFMR-UHFFFAOYSA-N
XLogP4.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 59301412) is N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)s1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PYWFSRIUPYNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-25(8-9-27-2)17-22-10-12(29-17)23-15(26)13-14(18(19,20)21)28-16(24-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59301412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).