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

C17H15FN4O3S — CID 59568512

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NCCO)s1
InChIInChI=1S/C17H15FN4O3S/c1-10-12(16(22-25-10)13-4-2-11(18)8-20-13)3-5-15-21-9-14(26-15)17(24)19-6-7-23/h2-5,8-9,23H,6-7H2,1H3,(H,19,24)/b5-3+
InChIKeyNEWWYMDCAOPHFK-HWKANZROSA-N
MW374.40 g/mol
LogP2.53
Rot. Bonds6

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

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59568512) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID59568512
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NCCO)s1
InChIInChI=1S/C17H15FN4O3S/c1-10-12(16(22-25-10)13-4-2-11(18)8-20-13)3-5-15-21-9-14(26-15)17(24)19-6-7-23/h2-5,8-9,23H,6-7H2,1H3,(H,19,24)/b5-3+
InChIKeyNEWWYMDCAOPHFK-HWKANZROSA-N
XLogP2.53
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.53
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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (CID 59568512) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NCCO)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NEWWYMDCAOPHFK-HWKANZROSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-10-12(16(22-25-10)13-4-2-11(18)8-20-13)3-5-15-21-9-14(26-15)17(24)19-6-7-23/h2-5,8-9,23H,6-7H2,1H3,(H,19,24)/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-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.53, 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-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).