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

C20H19FN4O3S — CID 59568492

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C20H19FN4O3S/c1-12-15(19(25-28-12)16-4-2-13(21)10-22-16)3-5-18-23-11-17(29-18)20(26)24-14-6-8-27-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H,24,26)/b5-3+
InChIKeyDFOYMEKVDZQYNJ-HWKANZROSA-N
MW414.46 g/mol
LogP3.72
Rot. Bonds5

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

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 59568492) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-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-(oxan-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID59568492
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C20H19FN4O3S/c1-12-15(19(25-28-12)16-4-2-13(21)10-22-16)3-5-18-23-11-17(29-18)20(26)24-14-6-8-27-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H,24,26)/b5-3+
InChIKeyDFOYMEKVDZQYNJ-HWKANZROSA-N
XLogP3.72
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-(oxan-4-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-(oxan-4-yl)-1,3-thiazole-5-carboxamide (CID 59568492) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-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-(oxan-4-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-(oxan-4-yl)-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC2CCOCC2)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DFOYMEKVDZQYNJ-HWKANZROSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-12-15(19(25-28-12)16-4-2-13(21)10-22-16)3-5-18-23-11-17(29-18)20(26)24-14-6-8-27-9-7-14/h2-5,10-11,14H,6-9H2,1H3,(H,24,26)/b5-3+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 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-(oxan-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).