5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide

C19H17FN6O3S — CID 57378195

IUPAC5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncsc3-c3cccc(F)c3)n2)n1
InChIInChI=1S/C19H17FN6O3S/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-4-3-5-12(20)6-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27)
InChIKeyRQMPJEIXHCSHRM-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.06
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide

5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 57378195) has the molecular formula C19H17FN6O3S and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID57378195
Molecular FormulaC19H17FN6O3S
Molecular Weight428.45 g/mol
Exact Mass428.11
IUPAC Name5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncsc3-c3cccc(F)c3)n2)n1
InChIInChI=1S/C19H17FN6O3S/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-4-3-5-12(20)6-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27)
InChIKeyRQMPJEIXHCSHRM-UHFFFAOYSA-N
XLogP3.06
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide (CID 57378195) is 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide is CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncsc3-c3cccc(F)c3)n2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RQMPJEIXHCSHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3S/c1-19(2,28)13-9-29-15(23-13)8-26-22-7-14(25-26)24-18(27)16-17(30-10-21-16)11-4-3-5-12(20)6-11/h3-7,9-10,28H,8H2,1-2H3,(H,24,25,27).
What are the key properties of 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide?
5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[2-[[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]methyl]triazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 57378195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).