2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C20H21FN4O3S — CID 59568506

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccc(F)cn3)noc2C)sc1C(=O)NC(C)(C)CO
InChIInChI=1S/C20H21FN4O3S/c1-11-18(19(27)24-20(3,4)10-26)29-16(23-11)8-6-14-12(2)28-25-17(14)15-7-5-13(21)9-22-15/h5-9,26H,10H2,1-4H3,(H,24,27)/b8-6+
InChIKeyUXZGJXTYXJPRKK-SOFGYWHQSA-N
MW416.48 g/mol
LogP3.62
Rot. Bonds6

About 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59568506) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59568506
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccc(F)cn3)noc2C)sc1C(=O)NC(C)(C)CO
InChIInChI=1S/C20H21FN4O3S/c1-11-18(19(27)24-20(3,4)10-26)29-16(23-11)8-6-14-12(2)28-25-17(14)15-7-5-13(21)9-22-15/h5-9,26H,10H2,1-4H3,(H,24,27)/b8-6+
InChIKeyUXZGJXTYXJPRKK-SOFGYWHQSA-N
XLogP3.62
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 59568506) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(/C=C/c2c(-c3ccc(F)cn3)noc2C)sc1C(=O)NC(C)(C)CO.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UXZGJXTYXJPRKK-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-11-18(19(27)24-20(3,4)10-26)29-16(23-11)8-6-14-12(2)28-25-17(14)15-7-5-13(21)9-22-15/h5-9,26H,10H2,1-4H3,(H,24,27)/b8-6+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).