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

C19H19FN4O3S — CID 59568491

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)(C)CO)s1
InChIInChI=1S/C19H19FN4O3S/c1-11-13(17(24-27-11)14-6-4-12(20)8-21-14)5-7-16-22-9-15(28-16)18(26)23-19(2,3)10-25/h4-9,25H,10H2,1-3H3,(H,23,26)/b7-5+
InChIKeyNLQZJIXHPGKSHS-FNORWQNLSA-N
MW402.45 g/mol
LogP3.31
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)-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)-1,3-thiazole-5-carboxamide (PubChem CID 59568491) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 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)-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)-1,3-thiazole-5-carboxamide
PubChem CID59568491
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)(C)CO)s1
InChIInChI=1S/C19H19FN4O3S/c1-11-13(17(24-27-11)14-6-4-12(20)8-21-14)5-7-16-22-9-15(28-16)18(26)23-19(2,3)10-25/h4-9,25H,10H2,1-3H3,(H,23,26)/b7-5+
InChIKeyNLQZJIXHPGKSHS-FNORWQNLSA-N
XLogP3.31
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.31
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)-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)-1,3-thiazole-5-carboxamide (CID 59568491) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-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)-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)-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)(C)CO)s1.
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)-1,3-thiazole-5-carboxamide?
The InChIKey is NLQZJIXHPGKSHS-FNORWQNLSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-11-13(17(24-27-11)14-6-4-12(20)8-21-14)5-7-16-22-9-15(28-16)18(26)23-19(2,3)10-25/h4-9,25H,10H2,1-3H3,(H,23,26)/b7-5+.
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)-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)-1,3-thiazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.31, 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)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).